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-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG9
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README9
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf1595
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin535779 -> 1119097 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex4
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf45
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin617135 -> 618298 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex144
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin202477 -> 202662 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex4
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf172
11 files changed, 1109 insertions, 873 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 8bf1b7f3d57..c2864f051f1 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,13 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2021-02-21
+ Changelog of mcf2graph software package by Akira Yamaji 2021-02-28
*******************************************************************************
+[ver. 4.59 / 2021-02-28]
+ -add command @(x,y) : move to (x,y)
+ -improve function check_mc()
+ -improve report output
+ -delete option parameter sw_indent_off
+ -update MCF manual,example
+
[ver. 4.58 / 2021-02-21]
-change syntax
"+" => p_
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index dd818987a10..72cb7303d85 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/README
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/README
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.58 2021-02-21
+ version : 4.59 2021-02-28
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -39,8 +39,11 @@
( 5) >mpost -s ahangle=13 FILENAME => output png file (1200dpi)
( 6) >mpost -s ahangle=2 FILENAME => output svg file
( 7) >mpost -s ahangle=3 FILENAME => output eps file (.eps)
- ( 8) >mpost -s ahlength=1 FILENAME => output aux file (tag1:var1;tag2:var2;)
- ( 9) >mpost -s ahlength=2 FILENAME => output aux file (tag1;tag2; var1;var2;)
+ ( 8) >mpost -s ahlength=1 FILENAME => output aux file
+ tag1:var1;tag2:var2;
+ ( 9) >mpost -s ahlength=2 FILENAME => output aux file
+ tag1;tag2;
+ var1;var2;
(10) >mpost -s ahlength=3 FILENAME => output report file
(11) >mpost -s ahlength=5 FILENAME => output mol file(V2000)
(12) >mpost -s ahlength=6 FILENAME => output mol file(V3000)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
index 65420533fc0..29b95a2ecdc 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,13 +1,13 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.02.21
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.58
-message "* mcf_exa_soc 2021.02.21";
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.02.28
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+input mcf2graph.mf; %%% it must be version 4.59
+message "* mcf_exa_soc 2021.02.28";
message "";
-%-------------------------------------------------------------------------
+%------------------------------------------------------------------------------
fsize:=(35mm,24mm);
max_blength:=4.5mm;
-%-------------------------------------------------------------------------
+%------------------------------------------------------------------------------
%%%%sw_aux_out:=1;
%%%%sw_fframe:=1;
%%%%sw_aframe:=1;
@@ -23,495 +23,595 @@ tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
%%%% atomfont:="cmtt8";
%%%% atomfont:="cmvtt10";
%%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
-%---------------------------------------------------------------------------
+%------------------------------------------------------------------------------
%%%% ext(nA:=10mm; pickup pencircle scaled 0.1pt;
%%%% draw(0,0)--(w,0)--(w,h)--(0,h)--cycle;
%%%% for i=nA step nA until w: draw(i,0)--(i,h); endfor
%%%% for i=nA step nA until h: draw(0,i)--(w,i); endfor );
-%---------------------------------------------------------------------------
-%%%%ext(defaultfont:="uhvr8r"; defaultscale:=.3; label.lrt(mc,(-2bp,1.5bp));)
-%***************************************************************************
-beginfont("EN:Adenine","MW:135.13")
- MC(<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH)
-endfont
-%***************************************************************************
-beginfont("EN:Guanine","MW:151.13")
- MC(<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2)
-endfont
-%***************************************************************************
-beginfont("EN:Cytosine","MW:111.10")
- MC(<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2)
-endfont
-%***************************************************************************
-beginfont("EN:Thymine","MW:126.11")
- MC(<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Uracil","MW:112.09")
- MC(<30,?6,6=dl,{3,5}://O,{2,4}:NH)
-endfont
-%***************************************************************************
-beginfont("EN:Geraniol","MW:154.25")
- MC(<30,!8,OH,{2,6}=dr,{2,6}:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Limonene","MW:136.24")
- MC(<30,?6,2=dl,2:/_,@5,*\,/_,!!)
-endfont
-%***************************************************************************
-beginfont("EN:l-Menthol","MW:156.27")
- MC(<30,?6,2:/*?!,5:*/_,3:*/OH)
-endfont
-%***************************************************************************
-beginfont("EN:Vanillin","MW:152.15")
- MC(<30,Ph,2:/OH,3:/O!,5:/CHO)
-endfont
-%***************************************************************************
-beginfont("EN:Allicin","MW:162.28")
- MC(<-30,!!,!2,SO,!,S,!2,!!)
-endfont
-%***************************************************************************
-beginfont("EN:Stearic acid","MW:284.48")
- MC(<30,!17,COOH)
-endfont
-%***************************************************************************
-beginfont("EN:Linoleic acid","MW:280.45")
- MC(<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr)
-endfont
-%***************************************************************************
-beginfont("EN:Sphingosine","MW:299.50")
- MC(<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2)
-endfont
-%**************************************************************************
-beginfont("EN:Tocopherol","MW:430.717")
- MC(<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Carotene","MW:536.8726")
- MC(<30,?6,4=dl,3:??,5:/_,
- @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,
- ?6,-6=dl,-5:/_,-1:??)
-endfont
-%***************************************************************************
-beginfont("EN:Adrenalin","MW:183.21")
- MC(<30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,!)
-endfont
-%***************************************************************************
-beginfont("EN:Caffeine","MW:194.194")
- MC(<30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!)
-endfont
-%***************************************************************************
-beginfont("EN:Nicotine","MW:162.23");
- MC(<30,Ph,2:N,@4,\,?5,8:N!)
+%------------------------------------------------------------------------------
+%%%% ext(defaultfont:="uhvr8r"; defaultscale:=.3; label.lrt(mc,(-2bp,1.5bp));)
+%******************************************************************************
+beginfont("EN:Adenine","MW:135.13",
+ ": <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Guanine","MW:151.13",
+ ": <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Cytosine","MW:111.10",
+ ": <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Thymine","MW:126.11",
+ ": <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Uracil","MW:112.09",
+ ": <30,?6,6=dl,{3,5}://O,{2,4}:NH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Geraniol","MW:154.25",
+ ": <30,!8,OH,{2,6}=dr,{2,6}:/_")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Limonene","MW:136.24",
+ ": <30,?6,2=dl,2:/_,@5,*\,/_,!!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:l-Menthol","MW:156.27",
+ ": <30,?6,2:/*?!,5:*/_,3:*/OH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Vanillin","MW:152.15",
+ ": <30,Ph,2:/OH,3:/O!,5:/CHO")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Allicin","MW:162.28",
+ ": <-30,!!,!2,SO,!,S,!2,!!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Stearic acid","MW:284.48",
+ ": <30,!17,COOH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Linoleic acid","MW:280.45",
+ ": <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Sphingosine","MW:299.50",
+ ": <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Tocopherol","MW:430.717",
+ ": <30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Carotene","MW:536.8726",
+ ": <30,?6,4=dl,3:??,5:/_, ",
+ ": @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_, ",
+ ": ?6,-6=dl,-5:/_,-1:?? ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Adrenalin","MW:183.21",
+ ": <30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Caffeine","MW:194.194",
+ ": <30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Nicotine","MW:162.23",
+ ": <30,Ph,2:N,@4,\,?5,8:N!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%**************************************************************************
-beginfont("EN:Capsaicin","MW:305.418")
- MC(<30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl)
-endfont
-%***************************************************************************
-beginfont("EN:Thiamine","MW:300.81")
- MC(<30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
- @-3,\,!2,OH,8:p_^72)
- MCat(.95,.75)(Cl,n_^15)
-endfont
-%**************************************************************************
-beginfont("EN:Gibberellin A3","MW:346.379");
- MC(<18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb,
- @5,40~zf`1,O,50,//O^180,&14~zb,
- 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60)
+%******************************************************************************
+beginfont("EN:Capsaicin","MW:305.418",
+ ": <30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Thiamine","MW:300.81",
+ ": <30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, ",
+ ": @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Gibberellin A3","MW:346.379",
+ ": <18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb, ",
+ ": @5,40~zf`1,O,50,//O^180,&14~zb, ",
+ ": 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%**************************************************************************
-beginfont("EN:Cholesterol","MW:386.664")
- MC(<30,?6,{-4,-2}=?6,-4=?5,7=dl,
- 1:*/OH,{4,12}:*/_^60,
- 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,@-1,17,/*_,!4,?!)
-endfont
-%***************************************************************************
-beginfont("EN:Riboflavin","MW:376.37")
- MC(<30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
- @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH)
-endfont
-%***************************************************************************
-beginfont("EN:Resveratrol","MW:228.24")
- MC(<30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH)
-endfont
-%***************************************************************************
-beginfont("EN:Glutathione","MW:307.33")
- MC(<-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH)
-endfont
-%***************************************************************************
-beginfont("EN:Hexaphenylbenzene","MW:534.6876")
- MC(<30,Ph,{1,2,3,4,5,6}:/Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Kekulene","MW:600.7")
- MC(<30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6,
- {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl)
-endfont
-%***************************************************************************
-beginfont("EN:18-Crown-6","MW:264.32")
- MC(<-180,O,60,60,60,O,-60,60,60,O,-60,60,60,
- O,-60,60,60,O,-60,60,60,O,-60,60,&1)
-endfont
-%***************************************************************************
-beginfont("EN:Porphyrin","MW:310.4")
-MC(<9,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,##,
- {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH)
-endfont
-%***************************************************************************
-beginfont("EN:Sulflower","MW:448.69")
- MC(<67.5,?8,{1,3,5,7}=?5,@11,30`1.15,&12,@14,30`1.15,&15,
- @17,30`1.15,&18,@20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
- {10,13,16,19,21,22,23,24}:S)
-endfont
-%***************************************************************************
-beginfont("EN:Arsphenamine x5","MW:915.2")
- MC(<18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH))
-endfont
-%***************************************************************************
-beginfont("EN:Melamine","MW:126.12")
- MC(<30,Ph,{2,4,6}:N,{1,3,5}:/NH2)
-endfont
-%***************************************************************************
-beginfont("EN:Sudan red 1","MW:248.28")
- MC(<30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Basic blue 1","MW:319.86")
- MC(<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_)
- MCat(1,.7)(Cl,n_^15)
-endfont
-%***************************************************************************
-beginfont("EN:Disperse violet 1","MW:238.25")
- MC(<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2)
-endfont
-%***************************************************************************
-beginfont("EN:Vat blue 1","MW:262.27")
- MC(<30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O)
-endfont
-%***************************************************************************
-beginfont("EN:Atrazine","MW:215.7")
- MC(<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!)
-endfont
-%***************************************************************************
-beginfont("EN:BHC","MW:290.83")
- MC(<30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl)
-endfont
-%***************************************************************************
-beginfont("EN:pp-DDT","MW:354.49")
- MC(<30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Endrin","MW:380.91")
-MC(<30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
- @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,
- {1,2,5,6,12^-210,12^-150}:/Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Acrinathrin","MW:541.45")
-MC(<-30,?3,2^-35:*/_,2^35:/*Me,
- @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Cafenstrole","MW:350.4")
-MC(<30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2)
-endfont
-%***************************************************************************
-beginfont("EN:Carfentrazone-ethyl","MW:412.19")
- MC(<30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2,
- @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Carboxin","MW:235.301")
-MC(<30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Clomazone","MW:239.7")
- MC(<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O)
-endfont
-%***************************************************************************
-beginfont("EN:Halfenprox","MW:477.4")
- MC(<30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,60,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Paraquat","MW:257.16")
- MC(Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90)
- MCat(1,.75)(Cl,n_^15)
- MCat(1,.60)(Cl,n_^15)
-endfont
-%***************************************************************************
-beginfont("EN:Picolinafen","MW:376.331")
- MC(<30,Ph,5:/CF3,@3,\,O,!,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F)
-endfont
-%***********************************************************************
-beginfont("EN:Quinoxyfen","MW:308.13")
- MC(<30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F)
-endfont
-%***********************************************************************
-beginfont("EN:Quitozene","MW:295.3")
- MC(<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2)
-endfont
-%***************************************************************************
-beginfont("EN:Bitertanol","MW:337.4")
- MC(<30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N)
-endfont
-%***************************************************************************
-beginfont("EN:Bifenox","MW:342.14")
- MC(<30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2)
-endfont
-%***************************************************************************
-beginfont("EN:Simeconazole","MW:293.417")
- MC(<36,?5,{1,3,5}:N,{1,4}=dl,
- @3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F)
-endfont
-%***************************************************************************
-beginfont("EN:Fenamidone","MW:311.403")
- MC(<18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Fenpyroximate","MW:421.49")
- MC(<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me,@3,\^-15,O,!,Ph,
- @4,\,!~dr,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4)
-endfont
-%***************************************************************************
-beginfont("EN:Chlorsulron","MW:380.648")
- MC(<30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Enrofloxacin","MW:359.401")
- MC(<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:N,4:/!)
-endfont
-%***************************************************************************
-beginfont("EN:Fenitrothion","MW:277.23")
- MC(<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2)
-endfont
-%***************************************************************************
-beginfont("EN:Fipronil","MW:437.2")
-MC(<30, Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,
- @-2,\,S,//O,!,CF3)
-endfont
-%***************************************************************************
-beginfont("EN:Flumequine","MW:261.225")
- MC(<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Imazalil","MW:297.2")
- MC(<-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@.$2,\,|,Ph,{4,6}:/Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Imidacloprid","MW:255.662")
- MC(<30,Ph,1:N,6:/Cl,@3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2))
-endfont
-%***********************************************************************
-beginfont("EN:Kresoxim-Methyl","MW:313.348")
- MC(<30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Nalidixic acid","MW:232.239")
- MC(<30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2)
-endfont
-%***********************************************************************
-beginfont("EN:Oryzalin","MW:346.4")
- MC(<30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3)
-endfont
-%***********************************************************************
-beginfont("EN:Oxadiazon","MW:345.2")
-MC(<30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!)
-endfont
-%***********************************************************************
-beginfont("EN:Oxadixyl","MW:278.3")
- MC(<30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O)
-endfont
-%***********************************************************************
-beginfont("EN:Oxyfluorfen","MW:361.701")
-MC(<30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2)
-endfont
-%***************************************************************************
-beginfont("EN:Sulfadimidine","MW:278.33")
- MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Sulfamerazine","MW:264.303")
- MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Sulfadoxine","MW:310.328")
- MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!)
-endfont
-%***************************************************************************
-beginfont("EN:Sulfamethoxazole","MW:253.276")
- MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Thiamethoxam","MW:291.71")
- MC(<30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Thiamphenicol","MW:355")
- MC(<30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Pyridaphenthion","MW:340.334")
- MC(<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Permethrin","MW:391.288")
- MC(<-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl),
- @3,\,//O,!,O,!2,|,Ph,@3,\,O,-60,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Isoprothiolane","MW:290.392")
- MC(<-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!)
-endfont
-%***************************************************************************
-beginfont("EN:Oxine-Copper","MW:351.852")
- MC(Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||,
- @4,&12~vf,@23,&12~vf)
-endfont
-%***************************************************************************
-beginfont("EN:Tetraconazole","MW:372.145")
- MC(<-6,
- ?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Endosulfan","MW:406.904");
- MC(<26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O,
- {8,9,10,11,12^-210,12^-150}:/Cl)
+%******************************************************************************
+beginfont("EN:Cholesterol","MW:386.664",
+ ": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ",
+ ": 1:*/OH,{4,12}:*/_^60, ",
+ ": 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,@-1,17,/*_,!4,?! ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Riboflavin","MW:376.37",
+ ": <30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_, ",
+ ": @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Resveratrol","MW:228.24",
+ ": <30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Glutathione","MW:307.33",
+ ": <-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Hexaphenylbenzene","MW:534.6876",
+ ": <30,Ph,{1,2,3,4,5,6}:/Ph")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Kekulene","MW:600.7",
+ ": <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6, ",
+ ": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:18-Crown-6","MW:264.32",
+ ": <-180,O,60,60,60,O,-60,60,60,O,-60,60,60, ",
+ ": O,-60,60,60,O,-60,60,60,O,-60,60,&1 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Porphyrin","MW:310.4",
+ ": <9,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,##, ",
+ ": {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Sulflower","MW:448.69",
+ ": <67.5,?8,{1,3,5,7}=?5,@11,30`1.15,&12,@14,30`1.15,&15, ",
+ ": @17,30`1.15,&18,@20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl, ",
+ ": {10,13,16,19,21,22,23,24}:S ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Arsphenamine x5","MW:915.2",
+ ": <18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Melamine","MW:126.12",
+ ": <30,Ph,{2,4,6}:N,{1,3,5}:/NH2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Sudan red 1","MW:248.28",
+ ": <30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Basic blue 1","MW:319.86",
+ ": <30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_, ",
+ ": @(4.2,1.5),Cl,n_^15 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Disperse violet 1","MW:238.25",
+ ": <30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Vat blue 1","MW:262.27",
+ ": <30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Atrazine","MW:215.7",
+ ": <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:BHC","MW:290.83",
+ ": <30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:pp-DDT","MW:354.49",
+ ": <30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Endrin","MW:380.91",
+ ": <30,?6`1.3,3=?6,6=dl,9=?3,-1:O, ",
+ ": @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb, ",
+ ": {1,2,5,6,12^-210,12^-150}:/Cl ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Acrinathrin","MW:541.45",
+ ": <-30,?3,2^-35:*/_,2^35:/*_, ",
+ ": @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph, ",
+ ": @-4,\,O,-60,Ph ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Cafenstrole","MW:350.4",
+ ": <30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Carfentrazone-ethyl","MW:412.19",
+ ": <30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2, ",
+ ": @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_ ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Carboxin","MW:235.301",
+ ": <30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Clomazone","MW:239.7",
+ ": <30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Halfenprox","MW:477.4",
+ ": <30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,60,Ph")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Paraquat","MW:257.16",
+ ": Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90, ",
+ ": @(5,1),Cl,n_^15,@(-0.5,1),Cl,n_^15 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Picolinafen","MW:376.331",
+ ": <30,Ph,5:/CF3,@3,\,O,!,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Quinoxyfen","MW:308.13",
+ ": <30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Quitozene","MW:295.3",
+ ": <30,Ph,{1,2,3,4,6}:/Cl,5:/NO2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Bitertanol","MW:337.4",
+ ": <30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Bifenox","MW:342.14",
+ ": <30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Simeconazole","MW:293.417",
+ ": <36,?5,{1,3,5}:N,{1,4}=dl, ",
+ ": @3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Fenamidone","MW:311.403",
+ ": <18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Fenpyroximate","MW:421.49",
+ ": <-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me,@3,\^-15,O,!,Ph, ",
+ ": @4,\,!~dr,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Chlorsulron","MW:380.648",
+ ": <30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Enrofloxacin","MW:359.401",
+ ": <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:N,4:/!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Fenitrothion","MW:277.23",
+ ": <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Fipronil","MW:437.2",
+ ": <30, Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, ",
+ ": @-2,\,S,//O,!,CF3 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Flumequine","MW:261.225",
+ ": <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Imazalil","MW:297.2",
+ ": <-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@.$2,\,|,Ph,{4,6}:/Cl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Imidacloprid","MW:255.662",
+ ": <30,Ph,1:N,6:/Cl,@3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Kresoxim-Methyl","MW:313.348",
+ ": <30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Nalidixic acid","MW:232.239",
+ ": <30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oryzalin","MW:346.4",
+ ": <30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oxadiazon","MW:345.2",
+ ": <30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oxadixyl","MW:278.3",
+ ": <30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oxyfluorfen","MW:361.701",
+ ": <30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Sulfadimidine","MW:278.33",
+ ": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Sulfamerazine","MW:264.303",
+ ": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Sulfadoxine","MW:310.328",
+ ": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Sulfamethoxazole","MW:253.276",
+ ": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Thiamethoxam","MW:291.71",
+ ": <30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Thiamphenicol","MW:355",
+ ": <30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Pyridaphenthion","MW:340.334",
+ ": <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Permethrin","MW:391.288",
+ ": <-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl), ",
+ ": @3,\,//O,!,O,!2,|,Ph,@3,\,O,-60,Ph ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Isoprothiolane","MW:290.392",
+ ": <-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oxine-Copper","MW:351.852",
+ ": Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, ",
+ ": @4,&12~vf,@23,&12~vf ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Tetraconazole","MW:372.145",
+ ": <-6,?5,{2,5}=dl, ",
+ ": {1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Endosulfan","MW:406.904",
+ ": <26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O, ",
+ ": {8,9,10,11,12^-210,12^-150}:/Cl ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%***********************************************************************
-beginfont("EN:Uniconazole-P","MW:291.779")
- MC(<30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N)
-endfont
-%***************************************************************************
-beginfont("EN:Oxadiargyl","MW:341.19")
- MC(<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!)
-endfont
-%***************************************************************************
-beginfont("EN:Oxaziclomefone","MW:376.277")
- MC(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Trimetoprim","MW:290.323")
- MC(<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!)
-endfont
-%***************************************************************************
-beginfont("EN:Ciprofloxacin","MW:331.347")
- MC(<30,Ph,-4=?6,9=dl,7:N,
- 6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH)
-endfont
-%***************************************************************************
-beginfont("EN:Danofloxacin","MW:357.385")
- MC(<30,Ph,-4=?6,9=dl,7:N,
- 6:/F,7:/?3,9:/COOH,10://O,
- @1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_)
-endfont
-%***************************************************************************
-beginfont("EN:Marbofloxacin","MW:362.361")
- MC(<30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!,
- @1,\,|,?6,1:N,4:N!)
-endfont
-%***************************************************************************
-beginfont("EN:Ofloxacin","MW:361.373")
- MC(<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_,
- @1,\,|,?6,{1,4}:N,4:/_)
-endfont
-%***************************************************************************
-beginfont("EN:Ormetoprim","MW:274.324")
- MC(<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!)
-endfont
-%***************************************************************************
-beginfont("EN:Amoxicillin","MW:365.4042")
- MC(<45,?4,-3=?5,2:N,7:S,
- 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH)
-endfont
-%***************************************************************************
-beginfont("EN:Ampicillin","MW:349.405")
- MC(<45,?4,-3=?5,2:N,7:S,
- 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,/*NH2,!,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Benzyl-Penicillin","MW:334.4")
- MC(<45,?4,-3=?5,2:N,7:S,
- 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,!,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Mecillinam","MW:325.4264")
- MC(<45,?4,-3=?5,2:N,7:S,
- 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,N,!!,!,?7,-7:N)
-endfont
-%***************************************************************************
-beginfont("EN:Nafcillin","MW:414.4748")
- MC(<45,?4,-3=?5,2:N,7:S,
- 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2)
-endfont
-%***************************************************************************
-beginfont("EN:Oxacillin","MW:401.4363")
- MC(<45,?4,-3=?5,2:N,7:S,
- 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
- @-1,\^-24,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Cloxacillin","MW:435.8813")
- MC(<45,?4,-3=?5,2:N,7:S,
- 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
- @-1,\^-24,Ph,-5:/Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Dicloxacillin","MW:470.3264")
- MC(<45,?4,-3=?5,2:N,7:S,
- 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
- @-1,\^-24,Ph,{-1,-5}:/Cl)
-endfont
-%***************************************************************************
-beginfont("EN:Cefalexin","MW:347.3889")
- MC(<45,?4,-3=?6,-4=dl,2:N,8:S,
- 3^45:/*H,1://O^15,5:/*COOH,6:/_,
- @4,*\^15,NH,!,//O,!,*/NH2,!,Ph)
-endfont
-%***************************************************************************
-beginfont("EN:Cefalonium","MW:458.5107")
- MC(<45,?4,-3=?6,-4=dl,2:N,8:S,
- 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40,
- @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
- @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2)
-endfont
-%***************************************************************************
-beginfont("EN:Cefazorin","MW:454.51")
- MC(<45,?4,-3=?6,-4=dl,2:N,8:S,
- 3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
- @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N)
-endfont
-%***************************************************************************
-beginfont("EN:Cefquinome","MW:528.6")
- MC(<45,?4,-3=?6,-4=dl,2:N,8:S,
- 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
- @6,\,!,Ph,-2=?6,-10:N,-10:p_^180)
-endfont
-%***************************************************************************
-beginfont("EN:Ceftiofur","MW:523.5626")
- MC(<45,?4,-3=?6,-4=dl,2:N,8:S,
- 3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
- @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O)
-endfont
-%***************************************************************************
+%******************************************************************************
+beginfont("EN:Uniconazole-P","MW:291.779",
+ ": <30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oxadiargyl","MW:341.19",
+ ": <30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oxaziclomefone","MW:376.277",
+ ": <30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Trimetoprim","MW:290.323",
+ ": <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Ciprofloxacin","MW:331.347",
+ ": <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Danofloxacin","MW:357.385",
+ ": <30,Ph,-4=?6,9=dl,7:N, ",
+ ": 6:/F,7:/?3,9:/COOH,10://O, ",
+ ": @1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_ ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Marbofloxacin","MW:362.361",
+ ": <30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!, ",
+ ": @1,\,|,?6,1:N,4:N! ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Ofloxacin","MW:361.373",
+ ": <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_, ",
+ ": @1,\,|,?6,{1,4}:N,4:/_ ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Ormetoprim","MW:274.324",
+ ": <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Amoxicillin","MW:365.4042",
+ ": <45,?4,-3=?5,2:N,7:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
+ ": @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Ampicillin","MW:349.405",
+ ": <45,?4,-3=?5,2:N,7:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
+ ": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Benzyl-Penicillin","MW:334.4",
+ ": <45,?4,-3=?5,2:N,7:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
+ ": @4,*\^15,NH,!,//O,!,!,Ph ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Mecillinam","MW:325.4264",
+ ": <45,?4,-3=?5,2:N,7:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
+ ": @4,*\^15,N,!!,!,?7,-7:N ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Nafcillin","MW:414.4748",
+ ": <45,?4,-3=?5,2:N,7:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
+ ": @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oxacillin","MW:401.4363",
+ ": <45,?4,-3=?5,2:N,7:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
+ ": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ",
+ ": @-1,\^-24,Ph ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Cloxacillin","MW:435.8813",
+ ": <45,?4,-3=?5,2:N,7:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
+ ": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ",
+ ": @-1,\^-24,Ph,-5:/Cl ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Dicloxacillin","MW:470.3264",
+ ": <45,?4,-3=?5,2:N,7:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
+ ": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ",
+ ": @-1,\^-24,Ph,{-1,-5}:/Cl ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Cefalexin","MW:347.3889",
+ ": <45,?4,-3=?6,-4=dl,2:N,8:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH,6:/_, ",
+ ": @4,*\^15,NH,!,//O,!,*/NH2,!,Ph ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Cefalonium","MW:458.5107",
+ ": <45,?4,-3=?6,-4=dl,2:N,8:S, ",
+ ": 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, ",
+ ": @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S, ",
+ ": @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Cefazorin","MW:454.51",
+ ": <45,?4,-3=?6,-4=dl,2:N,8:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH, ",
+ ": @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N, ",
+ ": @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Cefquinome","MW:528.6",
+ ": <45,?4,-3=?6,-4=dl,2:N,8:S, ",
+ ": 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, ",
+ ": @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, ",
+ ": @6,\,!,Ph,-2=?6,-10:N,-10:p_^180 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Ceftiofur","MW:523.5626",
+ ": <45,?4,-3=?6,-4=dl,2:N,8:S, ",
+ ": 3^45:/*H,1://O^15,5:/*COOH, ",
+ ": @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, ",
+ ": @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
beginfont("EN:Cefuroxime","MW:424.3852")
MC(<45,?4,-3=?6,-4=dl,2:N,8:S,
3^45:/*H,1://O^15,5:/*COOH,
@4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O,
@6,\,!,O,!,//O,!,NH2)
endfont
-%***************************************************************************
+%******************************************************************************
beginfont("EN:Apramycin","MW:539.58")
MC(<30,?6,-4=?6,{2,10}:O,
@1,\*,O,60~zb,?6,
@@ -519,21 +619,21 @@ beginfont("EN:Apramycin","MW:539.58")
{7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt,
-4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75)
endfont
-%***************************************************************************
+%******************************************************************************
beginfont("EN:Gentamycin","MW:477.596")
MC(<-30,?6,
@1,\*,O,0~zb,?6,-5:O,@5,\*,O,0~zb,?6,-5:O,
{2,4}:*/NH2,20:/*NH2,6:*/OH,
11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!))
endfont
-%***************************************************************************
+%******************************************************************************
beginfont("EN:Kanamycin","MW:484.499")
MC(<-30,?6,
@1,\*,O,0~zb,?6,-5:O,
@5,\,O,0,?6,-5:O,
{2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2)
endfont
-%***************************************************************************
+%******************************************************************************
beginfont("EN:DihydroStreptmycin","MW:583.574")
MC(<54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35,
@1,\*,O,-24~wb,?6,-5:O,
@@ -542,14 +642,14 @@ beginfont("EN:DihydroStreptmycin","MW:583.574")
@17,*\^-18,NH,!,//NH,!,NH2,
@19,*\,NH,!,//NH,!,NH2)
endfont
-%***************************************************************************
+%******************************************************************************
beginfont("EN:Fradiomycin","MW:614.644")
MC(<30,?6,3:O,2:/*!NH2,1:*/OH,6:/*OH,5:*/NH2,
@4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
@-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
@-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60)
endfont
-%***************************************************************************
+%******************************************************************************
beginfont("EN:Streptmycin","MW:581.574")
MC(<54,?5,3:O,4:/*_,5:/OH^35,
@1,\*,O,-24~wb,?6,-5:O,
@@ -558,7 +658,7 @@ beginfont("EN:Streptmycin","MW:581.574")
@17,*\^-18,NH,!,//NH,!,NH2,
@19,*\,NH,!,//NH,!,NH2)
endfont
-%***************************************************************************
+%******************************************************************************
beginfont("EN:Neospiramycin","MW:698.9")
MC(<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
{12,14}=dl,2:O,1:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt,
@@ -566,7 +666,7 @@ beginfont("EN:Neospiramycin","MW:698.9")
@7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH,
@8,\*,!,!!,O)
endfont
-%***************************************************************************
+%******************************************************************************
beginfont("EN:Emamectine","MW:886.133")
MC(<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60,
@5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
@@ -575,247 +675,290 @@ beginfont("EN:Emamectine","MW:886.133")
17:/_,19:/*_,@18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!,
@-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!)
endfont
-%***************************************************************************
-beginfont("EN:Spinosad","MW:731.968")
- MC(<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
- 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,{-1^35}:*/H,{-2^-60}:/*H,-2=?5,
- 2:O,{3^25,7^-25}://O,1:/!,
- @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!,
- 8~wf:/Me,5^-65~wf:/H,
- @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?!)
-endfont
-%***************************************************************************
-beginfont("EN:Spiramycin","MW:843.1")
- MC(<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt,
- @-6,\*^-30,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
- @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,
- @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,
- @8,\*,!,!!,O)
-endfont
-%***************************************************************************
-beginfont("EN:Natamycin","MW:665.733")
- MC(<-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60,
- 60,60,-60,60,-60,60,-60,60,60,-60,&1,(12,13)=?6[4],##,
- {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH,
- 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH,
- @10,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_)
-endfont
-%***************************************************************************
-beginfont("EN:Tylocin","MW:916.10")
- MC(<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_,
- @-1,*\,-60,O,0~wb,?6`.7,-5:O,-3:/*OH,-4:*/_,{-1,-2}:/*O!,
- @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,
- @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,
- @8,\*,!,!!,O)
-endfont
-%***************************************************************************
-beginfont("EN:Tilmicosin","MW:869.133")
- MC(<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_,
- @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_,
- @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_,
- @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_)
-endfont
-%***************************************************************************
-beginfont("EN:Chlortetracyclin","MW:478.88")
- MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl,
- {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
- )
-endfont
-%***************************************************************************
-beginfont("EN:Oxytetracyclin","MW:460.434")
- MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH,
- {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2)
-endfont
-%***************************************************************************
-beginfont("EN:Tetracyclin","MW:444.435")
- MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,
- {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2)
-endfont
-%***************************************************************************
-beginfont("EN:Doxycyclin","MW:444.43")
- MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_,
- {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,@17,\,//O,!,NH2)
-endfont
-%***************************************************************************
-beginfont("EN:Tiamulin","MW:493.74")
- MC(<-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb,
- {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60,
- @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60)
-endfont
-%***************************************************************************
-beginfont("EN:Rifampicin","MW:822.94")
- MC(<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,
- |,-8=?6,{2,4}=dl,{1,4}:/OH,
- #1,@-2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
- */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
- 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8),
- -4:/*O!,@-6,-30,O,!,//O,!,@.$11,\,!!,N,!,|,?6,1:N,4:N!)
-endfont
-%***************************************************************************
-beginfont("EN:Trenbolone","MW:270.37")
- MC(<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,
- 1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60)
-endfont
-%***************************************************************************
-beginfont("EN:Luciferin","MW:280.33")
- MC(<30,Ph,3=?5,@8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH)
-endfont
-%***************************************************************************
-beginfont("EN:Chlorophyll a","MW:893.509")
-MC(<-36,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,@6,22,70,&8,##,
- {4,6,8,10,14,16,18,21,23,27}=dl,@4,\`1.48~vf,Mg,&17~vb,@11,&27,@27,&23,
- {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O,
- @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_)
-endfont
-%**************************************************************************
-beginfont("EN:Quercetin","MW:302.24")
- MC(<30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH)
-endfont
-%***************************************************************************
-beginfont("EN:Limonin","MW:470.518")
- MC(<30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,
- {13,15,17,20}:O,{3,12,21}://O,
- {4~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H,
- @14,\*,|,?5,{1,4}=dl,3:O)
-endfont
-%**************************************************************************
-beginfont("EN:Cromolyn","MW:468.37")
- MC(<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
- @.$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH)
-endfont
-%**************************************************************************
-beginfont("EN:Emetine","MW:480.649")
- MC(<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,
- @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!)
-endfont
-%**************************************************************************
-beginfont("EN:Acronycine","MW:321.376")
- MC(<30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??)
-endfont
-%**************************************************************************
-beginfont("EN:Piperine","MW:285.343")
- MC(<30,Ph,|,-1=?5,{1,3}:O,@.$4,\,!!,!,!!,!,//O,!,|,?6,1:N)
-endfont
-%***************************************************************************
-beginfont("EN:Febrifugine","MW:301.346")
- MC(<30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@.$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH)
-endfont
-%***************************************************************************
-beginfont("EN:Mitomycine C","MW:334.332")
- MC(<30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N,
- 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,
- 8:/*O!^35,@.$9,\,!,O,60,//O,!,NH2)
-endfont
-%***************************************************************************
-beginfont("EN:Podophyllotoxin","MW:414.41");
- MC(<0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,
- @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H)
+%******************************************************************************
+beginfont("EN:Spinosad","MW:731.968",
+ ": <30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##, ",
+ ": 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl, ",
+ ": {-1^35}:*/H,{-2^-60}:/*H,-2=?5, ",
+ ": 2:O,{3^25,7^-25}://O,1:/!, ",
+ ": @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!, ",
+ ": 8~wf:/Me,5^-65~wf:/H, ",
+ ": @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?! ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Spiramycin","MW:843.1",
+ ": <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, ",
+ ": {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt, ",
+ ": @-6,\*^-30,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_, ",
+ ": @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, ",
+ ": @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, ",
+ ": @8,\*,!,!!,O ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Natamycin","MW:665.733",
+ ": <-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60, ",
+ ": 60,60,-60,60,-60,60,-60,60,60,-60,&1,(12,13)=?6[4],##, ",
+ ": {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH, ",
+ ": 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH, ",
+ ": @10,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_ ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Tylocin","MW:916.10",
+ ": <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, ",
+ ": {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_, ",
+ ": @-1,*\,-60,O,0~wb,?6`.7,-5:O,-3:/*OH,-4:*/_,{-1,-2}:/*O!, ",
+ ": @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, ",
+ ": @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, ",
+ ": @8,\*,!,!!,O ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Tilmicosin","MW:869.133",
+ ": <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, ",
+ ": {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_, ",
+ ": @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_, ",
+ ": @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_, ",
+ ": @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_ ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Chlortetracyclin","MW:478.88",
+ ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl, ",
+ ": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Oxytetracyclin","MW:460.434",
+ ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH, ",
+ ": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Tetracyclin","MW:444.435",
+ ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35, ",
+ ": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Doxycyclin","MW:444.43",
+ ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_, ",
+ ": {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,@17,\,//O,!,NH2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Tiamulin","MW:493.74",
+ ": <-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb, ",
+ ": {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60, ",
+ ": @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Rifampicin","MW:822.94",
+ ": <30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60, ",
+ ": |,-8=?6,{2,4}=dl,{1,4}:/OH, ",
+ ": #1,@-2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60, ",
+ ": */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60, ",
+ ": 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8), ",
+ ": -4:/*O!,@-6,-30,O,!,//O,!,@.$11,\,!!,N,!,|,?6,1:N,4:N! ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Trenbolone","MW:270.37",
+ ": <30,?6,{3,10}=?6,13=?5,{2,11,15}=dl, ",
+ ": 1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Luciferin","MW:280.33",
+ ": <30,Ph,3=?5,@8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Chlorophyll a","MW:893.509",
+ ": <-36,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,@6,22,70,&8,##, ",
+ ": {4,6,8,10,14,16,18,21,23,27}=dl,@4,\`1.48~vf,Mg,&17~vb,@11,&27,@27,&23, ",
+ ": {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O, ",
+ ": @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Quercetin","MW:302.24",
+ ": <30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Limonin","MW:470.518",
+ ": <30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, ",
+ ": {13,15,17,20}:O,{3,12,21}://O, ",
+ ": {4~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H, ",
+ ": @14,\*,|,?5,{1,4}=dl,3:O ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Cromolyn","MW:468.37",
+ ": <30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH, ",
+ ": @.$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Emetine","MW:480.649",
+ ": <30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H, ",
+ ": @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O! ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Acronycine","MW:321.376",
+ ": <30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Piperine","MW:285.343",
+ ": <30,Ph,|,-1=?5,{1,3}:O,@.$4,\,!!,!,!!,!,//O,!,|,?6,1:N")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Febrifugine","MW:301.346",
+ ": <30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@.$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Mitomycine C","MW:334.332",
+ ": <30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N, ",
+ ": 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH, ",
+ ": 8:/*O!^35,@.$9,\,!,O,60,//O,!,NH2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Podophyllotoxin","MW:414.41",
+ ": <0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O, ",
+ ": @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%***************************************************************************
-beginfont("EN:Warfarin","MW:308.333");
- MC(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,!)
+%******************************************************************************
+beginfont("EN:Warfarin","MW:308.333",
+ ": <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%***************************************************************************
-beginfont("EN:Genistein","MW:270.24");
- MC(<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH)
+%******************************************************************************
+beginfont("EN:Genistein","MW:270.24",
+ ": <30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%***************************************************************************
-beginfont("EN:Baicalein","MW:270.24");
- MC(<30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph)
+%******************************************************************************
+beginfont("EN:Baicalein","MW:270.24",
+ ": <30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%***************************************************************************
-beginfont("EN:Reserpine","MW:608.688");
- MC(<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,
- {15^-60,16^60}:/*H,
- @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr)
+%******************************************************************************
+beginfont("EN:Reserpine","MW:608.688",
+ ": <54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, ",
+ ": {15^-60,16^60}:/*H, ",
+ ": @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%***************************************************************************
-beginfont("EN:Rotenone","MW:394.423");
- MC(<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr,
- {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!!)
+%******************************************************************************
+beginfont("EN:Rotenone","MW:394.423",
+ ": <-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr, ",
+ ": {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!! ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%***************************************************************************
-beginfont("EN:Pyrethrin I","MW:328.452");
- MC(<30,?3,{3^35~wf,3^-35~zf}:/_,@1,*\,!!,?!,
- @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl)
+%******************************************************************************
+beginfont("EN:Pyrethrin I","MW:328.452",
+ ": <30,?3,{3^35~wf,3^-35~zf}:/_,@1,*\,!!,?!, ",
+ ": @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont;
-%***********************************************************************
-beginfont("EN:Oseltamivir","MW:312.40")
- MC(<30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2)
-endfont
-%**************************************************************************
-beginfont("EN:Paclitaxel","MW:853.918")
- MC(?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
- 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
- @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
- @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr)
-endfont
-%**************************************************************************
-beginfont("EN:Mevastatin","MW:390.52")
- MC(<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,
- @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2)
-endfont
-%***************************************************************************
-beginfont("EN:Sesamine","MW:354.35")
- MC(<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12)
-endfont
-%**************************************************************************
-beginfont("EN:Morphine","MW:285.343")
- MC(<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb,
- @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,
- 15=dl,6:/OH,8^180:*/H,12:/*OH)
-endfont
-%***************************************************************************
-beginfont("EN:Quinine","MW:324.424")
- MC(<30,Ph,3=Ph,7:N,6:/O!,
- @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb)
-endfont
-%***************************************************************************
-beginfont("EN:Atoropin","MW:289.375")
- MC(<30,O,!,//O,!,!,Ph,
- @.$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv)
-endfont
-%***************************************************************************
-beginfont("EN:Colchicine","MW:399.443")
- MC(<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!)
-endfont
-%***************************************************************************
-beginfont("EN:Lycorine","MW:287.315")
- MC(<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O,
- 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH)
-endfont
-%***************************************************************************
-beginfont("EN:Ibotenic acid","MW:158.113")
- MC(<18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!,COOH)
-endfont
-%***************************************************************************
-beginfont("EN:illudin S","MW:264.3")
- MC(<30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_,
- {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35)
-endfont
-%***************************************************************************
-beginfont("EN:Muscarine","MW:174.26")
- MC(<18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,!)
-endfont
-%***************************************************************************
-beginfont("EN:Psilocybin","MW:284.248")
- MC(<30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH,
- @7,\,!,-60,N?!)
-endfont
-%***************************************************************************
-beginfont("EN:Tetrodotoxine","MW:319.27")
- MC(#1,<60,-90,60,-30`1.15,150,60,&1,@3,-135,60,-30`1.15,150,&4,
- @10,\,O,60`1.33,60,&($3)~si_,@8,-15~si_,O,&12,##,
- @9,45,-60,OH,1^120://NH,
- {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH)
-endfont
-%***************************************************************************
-beginfont("EN:Aflatoxin B1","MW:312.27")
- MC(<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
- 2:/O!,{8,11}://O,{15^-54,16^54}:*/H)
-endfont
-%***************************************************************************
+%******************************************************************************
+beginfont("EN:Oseltamivir","MW:312.40",
+ ": <30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Paclitaxel","MW:853.918",
+ ": ?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ",
+ ": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, ",
+ ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
+ ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Mevastatin","MW:390.52",
+ ": <30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_, ",
+ ": @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Sesamine","MW:354.35",
+ ": <54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Morphine","MW:285.343",
+ ": <30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb, ",
+ ": @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb, ",
+ ": 15=dl,6:/OH,8^180:*/H,12:/*OH ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Quinine","MW:324.424",
+ ": <30,Ph,3=Ph,7:N,6:/O!, ",
+ ": @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Atoropin","MW:289.375",
+ ": <30,O,!,//O,!,!,Ph, ",
+ ": @.$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Colchicine","MW:399.443",
+ ": <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Lycorine","MW:287.315",
+ ": <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O, ",
+ ": 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Ibotenic acid","MW:158.113",
+ ": <18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!,COOH")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:illudin S","MW:264.3",
+ ": <30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, ",
+ ": {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35 ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Muscarine","MW:174.26",
+ ": <18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Psilocybin","MW:284.248",
+ ": <30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH,@7,\,!,-60,N?!")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Tetrodotoxine","MW:319.27",
+ ": #1,<60,-90,60,-30`1.15,150,60,&1,@3,-135,60,-30`1.15,150,&4, ",
+ ": @10,\,O,60`1.33,60,&($3)~si_,@8,-15~si_,O,&12,##, ",
+ ": @9,45,-60,OH,1^120://NH, ",
+ ": {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
+beginfont("EN:Aflatoxin B1","MW:312.27",
+ ": <30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O, ",
+ ": 2:/O!,{8,11}://O,{15^-54,16^54}:*/H ")
+ if check_mc(mc)=0: MC(scantokens(mc)) fi
+endfont
+%******************************************************************************
bye
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index ba142e98185..c5d423a2a94 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
index 1bac0a43d54..8620e9576dd 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
@@ -1,11 +1,11 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2020.09.22
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.02.28
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
%---------------------
\usepackage{mcf_setup}
-%%%%\pdfpkresolution=1200
+\pdfpkresolution=1200
%---------------------
\pagestyle{empty}
\topmargin=-24mm
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
index 3a2da782e28..7a4e76408e5 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.02.21
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.02.28
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf; %% it must be version 4.578
message "mcf_man_soc 2021.02.21"; message "";
@@ -552,6 +552,21 @@ beginfont("EN:Inline definition")
MC(<30,!8,{2,6}:/'(!,/_,!,OH))
endfont
%***********************************************************************
+beginfont("EN:Move position")
+ fsize:=(60mm,12mm);
+ fmargin:=(2mm,1mm);
+ sw_trimming:=1;
+ MC(<30,?6,@3,\,!3,//O,!,O,n_^60,@(6,1),H,p_^15)
+ add(drawdot A1 withpen pencircle scaled 2bp;
+ pickup pencircle scaled 0.1bp;
+ for i=0 upto 6:
+ draw (A1+(l*i,l-2bp))--(l*i,l+2bp);
+ endfor
+ draw A1--(A1+(0,1l))--A1+(6l,1l);
+ draw (A1+(0,1l))--(A1+(-2bp,1l));
+ )
+endfont
+%***********************************************************************
beginfont("EN:mangle")
fsize:=(50mm,15mm);
blength:=6mm;
@@ -986,19 +1001,21 @@ beginfont("EN:MCat()")
endfont
%***********************************************************************
beginfont("EN:Pyridine",":<30,Ph,2:N")
+ sw_trimming:=0;
fsize:=(12mm,12mm);
if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont
%-----------------------------------------------------------------------
beginfont("EN:Pyridine",":<30,Ph,2):N")
+ sw_trimming:=0;
fsize:=(12mm,12mm);
if check_mc(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:add() 1")
- fsize:=(70mm,43mm);
+ fsize:=(70mm,40mm);
sw_aframe:=sw_mframe:=1;
- max_blength:=12mm;
+ max_blength:=10mm;
msize:=(.91,.9);
MCat(.5,.85)(<30,?6,{2,5}:O)
add(
@@ -1014,13 +1031,15 @@ beginfont("EN:add() 1")
dotlabel.ulft("A6",A6);
drawarrow A1{A1down}..A6;
dotlabel.urt( "B3e",B3e);
- label.rt("An="&decimal(An)&" / "&
- "Bn="&decimal(Bn),p0+(-w,-1.5em));
- label.rt("aw="&decimal(aw),p0+(w,-1.5em));
- label.rt("em="&decimal(em),p0+(0,-1.5em));
- label.rt("w="&decimal(w),p0+(-w,-3em));
- label.rt("h="&decimal(h),p0+(0,-3em));
- label.rt("l="&decimal(l),p0+(w,-3em));
+ label.rt( "An="&decimal(An)&
+ " Bn="&decimal(Bn)&
+ " aw="&decimal(aw)&
+ " em="&decimal(em),
+ p0+(-9em,-1.5em));
+ label.rt( "w="&decimal(w)&
+ " h="&decimal(h)&
+ " l="&decimal(l),
+ p0+(-9em,-3em));
)
endfont
%***********************************************************************
@@ -1200,9 +1219,9 @@ ext(defaultfont:="uhvr8r"; defaultscale:=.75;
label.urt("sw_fframe = "&decimal(sw_fframe),(0.01w,0.24h));
label.urt("sw_aframe = "&decimal(sw_aframe),(0.01w,0.21h));
label.urt("sw_trimming = "&decimal(sw_trimming),(0.01w,0.18h));
- label.urt("mc1 ="&mc1,(0.01w,0.12h));
- label.urt("mc2 ="&mc2,(0.01w,0.09h));
- label.urt("mc3 ="&mc3,(0.01w,0.06h));
+ label.urt("mc1= "&mc1,(0.01w,0.12h));
+ label.urt("mc2= "&mc2,(0.01w,0.09h));
+ label.urt("mc3= "&mc3,(0.01w,0.06h));
)
%***************************************************************************
beginfont("EN:Ampicillin","MW:349.405",
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 5b295a87bb1..8740660b74a 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index aea619862ad..037b855bf08 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.02.21
+% Molecular Coding Format manual by Akira Yamaji 2021.02.28
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[pdftex]{graphicx}
@@ -655,12 +655,21 @@ exact mass, molecular formula.
%-----------------------------------------------------------------------------
\subsubsection{Parts inline definition}
\begin{verbatim}
- <30,!, /'(!,/_,!,OH),
- !4,/'(!,/_,!,OH),!3
+ <30,!, /'(!,/_,!,OH),!
<30,!8,{2,6}:/'(!,/_,!,OH)
\end{verbatim}
\MCFgraph
+%-----------------------------------------------------------------------------
+\subsubsection{Move position}
+\index{"@()}%
+\begin{verbatim}
+ @(x,y) : Move to (l*x,l*y) from origin
+ ** l=bond length of ring
+
+ <30,?6,@3,!4,//O,!,O,n_^60,@(6,1),H,p_^15
+\end{verbatim}
+\MCFgraph
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newpage
\section{Option parameter}
@@ -1019,27 +1028,6 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsubsection{Remove indent}
-\index{sw\_indent\_off}%
-\begin{verbatim}
- ** default sw_indent_off=0
- beginfont(": Ph ",
- ": ,{1,4}:N ",
- ": ,{2,3}:/_ ")
- endfont
-
- mc1=" Ph"
- mc2=" ,{1,4}:N"
- mc3=" ,{2,3}:/_"
-
- sw_indent_off=1
- mc1="Ph"
- mc2=",{1,4}:N"
- mc3=",{2,3}:/_"
-
- mc="Ph,{1,4}:N,{2,3}:/_" ** 0 or 1
-\end{verbatim}
-%-----------------------------------------------------------------------------
\newpage
%-----------------------------------------------------------------------------
\subsection{Parameter setting}
@@ -1236,32 +1224,33 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
a /* b : point b of a
beginfont("EN:add() 1")
- fsize:=(75mm,45mm);
+ fsize:=(70mm,40mm);
sw_aframe:=sw_mframe:=1;
- max_blength:=12mm;
- msize:=(.91,.85);
- MCat(.5,.8)(<30,?6,{2,5}:O)
- %-------------------------------------
+ max_blength:=10mm;
+ msize:=(.91,.9);
+ MCat(.5,.85)(<30,?6,{2,5}:O)
add(
defaultscale:=.8;
labeloffset:=.3aw;
dotlabel.lft("p0",p0);
dotlabel.rt( "p0+(w,h)",p0+(w,h));
dotlabel.ulft("A1",A1);
- drawarrow A1..A1+(l,0)<<A1ang;
+ drawarrow A1..A1+__*l<<A1ang;
dotlabel.lrt( "B3s",B3s);
dotlabel.rt("B3m",B3m);
- drawarrow B3m..B3m+(l,0)<<(B3ang+90);
+ drawarrow B3m..B3m+__*l<<(B3ang+90);
dotlabel.ulft("A6",A6);
drawarrow A1{A1down}..A6;
dotlabel.urt( "B3e",B3e);
- label.rt("An="&decimal(An)&" / "&
- "Bn="&decimal(Bn),p0+(-w,-1.5em));
- label.rt("aw="&decimal(aw),p0+(w,-1.5em));
- label.rt("em="&decimal(em),p0+(0,-1.5em));
- label.rt("w="&decimal(w),p0+(-w,-3em));
- label.rt("h="&decimal(h),p0+(0,-3em));
- label.rt("l="&decimal(l),p0+(w,-3em));
+ label.rt( "An="&decimal(An)&
+ " Bn="&decimal(Bn)&
+ " aw="&decimal(aw)&
+ " em="&decimal(em),
+ p0+(-9em,-1.5em));
+ label.rt( "w="&decimal(w)&
+ " h="&decimal(h)&
+ " l="&decimal(l),
+ p0+(-9em,-3em));
)
endfont
\end{verbatim}
@@ -1552,7 +1541,7 @@ beginfont("EN:Cholesterol","MW:386.65", >information
": {4,12}:*/_^60, ", > mc3
": @-1,18,/*_,-60,!3,?! ") > mc4
%---------------------------------------- >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3
+ if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
endfont > end font
%------------------------------------------------------------------------
beginfont("EN:Limonin", > information
@@ -1674,28 +1663,32 @@ h : font height
\end{verbatim}
\paragraph{(Output)}
\begin{verbatim}
-------------------------------------------------------------------
- Molecular name = Nicotine
- Warnings = 0 / Command count= 44
- Width * Height = 49.57332 * 41.37605
- Shift width * height = 0 * -9.07253
+===========================================================================
+ No. 1 / Name = Adenine
+---------------------------------------------------------------------------
+ <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+---------------------------------------------------------------------------
+ mc length= 46 / mc low= 1
+---------------------------------------------------------------------------
+ Warnings = 0 / Command count= 65
+ Width * Height = 44.41766 * 44.96748
+ Shift width * height = -2.69456 * -12.02556
Bond length = 12.75589 Atom size = 5.38914
- Atom count= 12 Bond count= 13 Ring count= 2 Hide H count= 14
-------------------------------------------------------------------
+ Atom count= 11 Bond count= 12 Ring count= 2 Hide H count= 2
+---------------------------------------------------------------------------
< NO. ><atom(s) >( x axis , y axis )<bond><hideH><chg>
A1 C ( 0 , 0 ) 3 1
A2 N ( 0.866 , -0.5 ) 3
- A3 C ( 1.732 , 0 ) 3 1
+ A3 C ( 1.732 , 0 ) 4
A4 C ( 1.732 , 1 ) 4
- A5 C ( 0.866 , 1.5 ) 3 1
- A6 C ( 0 , 1 ) 3 1
- A7 C ( 2.304 , 1.33 ) 3 1
- A8 N ( 3.217 , 0.923 ) 3
- A9 C ( 3.886 , 1.666 ) 2 2
- A10 C ( 3.386 , 2.532 ) 2 2
- A11 C ( 2.408 , 2.325 ) 2 2
- A12 C ( 3.399 , 0.067 ) 1 3
-------------------------------------------------------------------
+ A5 C ( 0.866 , 1.5 ) 4
+ A6 N ( 0 , 1 ) 3
+ A7 N ( 2.683 , -0.309 ) 3
+ A8 C ( 3.271 , 0.5 ) 3 1
+ A9 N ( 2.683 , 1.309 ) 3
+ A10 NH2 ( 0.866 , 2.371 ) 1
+ A11 H ( 2.683 , -0.732 ) 1
+---------------------------------------------------------------------------
< NO. >< bond (sdt)><angle +( +- )><length ( pt )>
B1 1 -> 2 ( 2) 330 ( -30) 1 ( 12.76)
B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76)
@@ -1703,23 +1696,22 @@ h : font height
B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76)
B5 5 -> 6 ( 2) 210 ( -150) 1 ( 12.76)
B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76)
- B7 4 -> 7 ( 1) 30 ( 30) 0.66 ( 8.42)
- B8 7 -> 8 ( 1) 336 ( -24) 1 ( 12.76)
- B9 8 -> 9 ( 1) 48 ( 48) 1 ( 12.76)
- B10 9 -> 10 ( 1) 120 ( 120) 1 ( 12.76)
- B11 10 -> 11 ( 1) 192 ( -168) 1 ( 12.76)
- B12 11 -> 7 ( 1) 264 ( -96) 1 ( 12.76)
- B13 8 -> 12 ( 1) 282 ( -78) 0.66 ( 8.42)
-------------------------------------------------------------------
+ B7 3 -> 7 ( 1) 342 ( -18) 1 ( 12.76)
+ B8 7 -> 8 ( 1) 54 ( 54) 1 ( 12.76)
+ B9 8 -> 9 ( 2) 126 ( 126) 1 ( 12.76)
+ B10 9 -> 4 ( 1) 198 ( -162) 0.66 ( 8.42)
+ B11 5 -> 10 ( 1) 90 ( 90) 0.66 ( 8.42)
+ B12 7 -> 11 ( 1) 270 ( -90) 0.36 ( 4.59)
+---------------------------------------------------------------------------
<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ]
- C ( 12.0107)[ 12] * 10 120.10696[ 120]
- H ( 1.00793)[ 1.00783] * 14 14.11108[ 14.10959]
- N ( 14.0067)[ 14.00307] * 2 28.0134[ 28.00613]
- Molecular Weight [Mono Isotopic] = 162.2314[ 162.11572]
-------------------------------------------------------------------
- Weight Calc: 162.2314 / Input: 162.23 / weight gap= 0.00145
- Fomula Calc: C10H14N2 / Input:
-==================================================================
+ C ( 12.0107)[ 12] * 5 60.05348[ 60]
+ H ( 1.00793)[ 1.00783] * 5 5.03967[ 5.03914]
+ N ( 14.0067)[ 14.00307] * 5 70.0335[ 70.01534]
+ Molecular Weight [Mono Isotopic] = 135.1266[ 135.05447]
+---------------------------------------------------------------------------
+ Weight Calc: 135.1266 / Input: 135.13 / weight gap= -0.00336
+ Fomula Calc: C5H5N5 / Input:
+===========================================================================
\end{verbatim}%
\newpage
%------------------------------------------------------------------------
@@ -1867,15 +1859,15 @@ endfont;
%--------------------------------------------------------------------
\begin{document}
\unitlength=1mm%
-\INFO{F:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:142,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:143,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
\end{document}
%--------------------------------------------------------------------
\end{verbatim}%
%############################################################################
%------------------------------------------------------------------------
-\INFO{F:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:142,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:143,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
%------------------------------------------------------------------------
\texttt{\printindex}
%------------------------------------------------------------------------
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index 473f7c635db..8e783244275 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index 84731a7e018..f96c6320337 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.02.21
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.02.28
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf must be version 4.58
+%%% mcf2graph.mf must be version 4.59
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 4a3f4a766ab..9c68e1d84c9 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.58 Copyright (c) 2013-2021 Akira Yamaji
+% mcf2graph ver 4.59 Copyright (c) 2013-2021 Akira Yamaji
%
% Permission is hereby granted, free of charge, to any person obtaining a copy of this software
% and associated documentation files (the "Software"), to deal in the Software without restriction,
@@ -37,34 +37,37 @@
% Set to use plain.mp (label,arrow,atom) : mpost -s labeloffset=2 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message "* This is mcf2graph ver 4.58 2021.02.21";
+message "* This is mcf2graph ver 4.59 2021.02.28";
%-------------------------------------------------------------------------------------------------
newinternal cntA,cntB,cntM,minX,minY,maxX,maxY,sftX,sftY,com,par,envT,envB,lenT,lineT,angT,rotT,
crR,nA,nB,nC,nD,nE,nF,nS,nL,nR,nU,nP,xpos,ypos,markA,markB,saveA,saveB,bondL;
numeric save_num[],comD[][],parD[][],adrD[][],cntD[],tbl_atom[],tbl_group[][],f_char[],
tbl_atom_wt[],tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[],addA[],add_rot[],chargeA[],
com_group[][],par_group[][],cnt_group[],colorA[],colorB[],sumA[],bondC[],hideH[],
- lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[];
-string info[],mc[],save_str[],tbl_atom_str[],strD[],tag[],out_file_name,out_file_aux,
+ lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[],mc_indent[];
+string save_str[],tbl_atom_str[],strD[],tag[],out_file_name,out_file_aux,
out_file_rep,out_file_mpc,aux_delimiter,atomfont,mpfont,s_tag,s_var,cal_FM,cal_MW,cal_MI,
- inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,mc,blank_str;
-pair save_pair[],posA[],posM[][],msize,mposition,fsize,fmargin,save_mposition,posBs,posBe;
+ inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,blank_str;
+pair save_pair[],posA[],posM[][],msize,mposition,fsize,fmargin,save_mposition,posBs,posBe,dum;
picture mol_stru[],atom_picture,save_picture,temp_picture;
path arrow_path,dottedline_path,line_path,arrow_head;
%-------------------------------------------------------------------------------------------------
char_num:=str_cnt:=tbl_cnt:=proc_end:=mangle:=sw_calc:=sw_ext_all:=0;
sw_numberA:=sw_numberB:=sw_aux_out:=sw_expand:=sw_fframe:=sw_mframe:=sw_aframe:=sw_trimming:=0;
-sw_rep_out:=sw_mol_out:=sw_group_off:=sw_single:=sw_arrow_emu:=sw_indent_off:=0;
+sw_rep_out:=sw_mol_out:=sw_group_off:=sw_single:=sw_arrow_emu:=0;
numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095;
%-------------------------------------------------------------------------------------------------
aux_max:=max_inf_num:=20;
aux_delimiter:=";";
for i=1 upto aux_max: tag[i]:=""; endfor
blank_str:= " ";
+dum:=(-4091,0);
%-------------------------------------------------------------------------------------------------
-a_paren_s:=ASCII("("); a_paren_e:=ASCII(")"); a_brace_s:=ASCII("{"); a_brace_e:=ASCII("}");
-a_bracket_s:=ASCII("["); a_bracket_e:=ASCII("]"); a_comma:=ASCII(","); a_equal:=ASCII("=");
-a_colon:=ASCII(":"); a_atmark:=ASCII("@"); a_zero:=ASCII("0"); a_nine:=ASCII("9");
+a_prn_s:=ASCII("("); a_prn_e:=ASCII(")"); a_brc_s:=ASCII("{"); a_brc_e:=ASCII("}");
+a_brk_s:=ASCII("["); a_brk_e:=ASCII("]"); a_cmm:=ASCII(","); a_equ:=ASCII("=");
+a_ast:=ASCII("*"); a_sls:=ASCII("/"); a_gtn:=ASCII("<"); a_ltn:=ASCII(">"); a_and:=ASCII("&");
+a_dol:=ASCII("$"); a_hsh:=ASCII("#"); a_hat:=ASCII("^"); a_tld:=ASCII("~"); a_bqt:=ASCII("`");
+a_cln:=ASCII(":"); a_amk:=ASCII("@"); a_zero:=ASCII("0"); a_nine:=ASCII("9");
%--------------------------------------------------------------------------------------------------
let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =; let ef=elseif;
def ]]]=] ] ] enddef;
@@ -211,12 +214,12 @@ def_com(-4090)(_com,_jp_atom,_jp_absA,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_t
_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_adj_ang,_chg_env,_tmp_env,_set_colorA,_set_colorB,
_group_si,_set_adr,_mk_bond,_set_atom,_arrange_ang,_chg_atom,_tmp_rot,_fuse,_size_atom,_numeric,
_jump_at,_set_add,_chg_add,_nop,_mark,_moff,_term,_len_s,_len_e,_len_ss,_len_ee,
- _group_s,_group_e,_rest,_charge,
+ _group_s,_group_e,_rest,_charge,_zero_ang,
si,dl,dl_,dr,dr_,db,dm,dm_,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,nb,si_,wf_,wb_,zf_,zb_,wv_,bd_);
%--------------------------------------------------------------------------------------------------
def parameter_list=
sw_rep_out,sw_numberA,sw_numberB,sw_mframe,sw_aux_out,sw_expand,sw_mol_out,sw_calc,
- sw_single,sw_ext_all,sw_aframe,sw_fframe,sw_group_off,sw_trimming,sw_arrow_emu,sw_indent_off,
+ sw_single,sw_ext_all,sw_aframe,sw_fframe,sw_group_off,sw_trimming,sw_arrow_emu,
ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,ratio_chain_ring,ratio_bondgap_bond,
ratio_zebra_black,ratio_zebragap_bond,ratio_thickness_char,ratio_wedge_bond,ratio_atomgap_atom,
lonepairdiam,lonepairspace,blength,offset_atom,offset_wedge,max_blength,offset_zebra_gap,
@@ -258,7 +261,8 @@ enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def beginfont(text s)=
begingroup
- save ',f_beginchar,f_ext,blen,ext,add,ang_br,s_fw,s_bw,s_len,at_colon;
+ save ',f_beginchar,f_ext,blen,ext,add,ang_br,s_fw,s_bw,s_len,at_colon,info,mc;
+ string info[],mc[],mc;
%------------------------------------------------------------------------------------------------
def ext=ext_to_font enddef;
def add=add_to_molecule enddef;
@@ -272,9 +276,8 @@ def beginfont(text s)=
%------------------------------------------------------------------------------------------------
char_num:=char_num+1;
store_par(parameter_list);
- for i:=1 upto max_inf_num: info[i]:=":"; mc[i]:=""; endfor
- f_ext:=inf_num:=cntM:=mc_low:=0;
- for list=s: inf_num:=inf_num+1; info[inf_num]:=list; endfor
+ f_ext:=cntM:=mc_low:=inf_num:=0;
+ for list=s: inf_num:=inf_num+1; info[inf_num]:=list; mc[inf_num]:=""; endfor
%------------------------------------------------------------------------------------------------
for j=1 upto inf_num:
at_colon:=0;
@@ -284,13 +287,9 @@ def beginfont(text s)=
s_fw:=0; for k=2 upto s_len: if subc(k,info[j])<>" ": s_fw:=k; fi exitif s_fw>0; endfor
s_bw:=0; for k=s_len downto 2: if subc(k,info[j])<>" ": s_bw:=k; fi exitif s_bw>0; endfor
mc_low:=mc_low+1;
- if sw_indent_off=0:
- mc[mc_low]:=substring (2,s_len) of info[j];
- mc:=mc&substring (s_fw-1,s_bw) of info[j];
- else:
- mc[mc_low]:=substring (s_fw-1,s_len) of info[j];
- mc:=mc&mc[mc_low];
- fi
+ mc_indent[mc_low]:=s_fw-2;
+ mc[mc_low]:=substring (s_fw-1,s_bw) of info[j];
+ mc:=mc&mc[mc_low];
ef at_colon>=1:
s_tag:=substring (0,at_colon-1) of info[j];
s_var:=substring (at_colon,s_len) of info[j];
@@ -339,7 +338,7 @@ def endfont=
if f_MP=0: beginchar(char_num,font_wd/bp*bp#,font_ht/bp*bp#,0)
else: beginfig(char_num) w:=charwd:=font_wd; h:=charht:=font_ht;
fi
- draw (0,h)--(0,0)--(w,0)--(w,h)--(0,h)--(w,0) wpcs 0.2bp;
+ draw (0,h)--(0,0)--(w,0)--(w,h)--(0,h)--(w,0) wpcs thickness_fframe;
fi
%-----------------------------------------------------------------------------------------
endchar;
@@ -354,7 +353,7 @@ def endfont=
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def set_def_MC=
- save /,//,/*,*/,**,*/*,~,^,',`,<,>,&,:,=,\,\\,*\,\*,*\*,@,$,&,#,##,{,},|,||,_,inside_def_MC;
+ save /,//,/*,*/,**,*/*,~,^,',`,<,>,&,:,=,\,\\,*\,\*,*\*,@,@@,$,&,#,##,{,},|,||,_,inside_def_MC;
inside_def_MC:=1;
pair |,||,##;
| :=(_com,_mark); || := (_com,_moff); ##:=(_com,_len_e);
@@ -369,21 +368,25 @@ enddef;
%-------------------------------------------------------------------------------------------------
vardef '(text TXT)= parts_cnt:=parts_cnt+1; read_mcf(parts_cnt)(TXT); parts_cnt enddef;
vardef read_id(text TXT)=read_mcf(incr parts_cnt)(|,#crR,TXT,##,(_com,_rest)); parts_cnt enddef;
-vardef read_ud(text TXT)=read_mcf(incr parts_cnt)(|,TXT,(_com,_rest)); parts_cnt enddef;
+vardef read_ud(text TXT)=read_mcf(incr parts_cnt)(dum,dum,|,TXT,(_com,_rest)); parts_cnt enddef;
+vardef abs_adress primary n == n-4095 enddef;
tertiarydef a op_equ b = if (known a)and(known b):: change_bond(a,b) else:: _nop fi enddef;
tertiarydef a op_col b = if (known a)and(known b):: change_atom(a,b) else:: _nop fi enddef;
tertiarydef a op_hat b = if known b:: (_tmp_rot,b),a else:: _nop,a fi enddef;
tertiarydef a op_til b = if known b:: (_tmp_line,b),a else:: _nop,a fi enddef;
tertiarydef a op_lt b = if known b:: (_tmp_env,b),a else:: _nop,a fi enddef;
tertiarydef a op_bq b = if known b:: (_tmp_len,b),a else:: _nop,a fi enddef;
-def rot_angle primary n = (_rot_ang,n) enddef; def jump_atom primary n = (_jp_atom,n) enddef;
+def rot_angle primary n = (_rot_ang,n) enddef;
def cyc_atom primary n = (_cyc,n) enddef;
-def chg_length primary n = (_com,_len_s),(_chg_len,n) enddef;
+def jump_atom primary a =
+ if numeric a:: (_jp_atom,a)
+ elseif pair a:: (_jp_atom,$1),(_com,_zero_ang),angle(a)~0`length(a),(_com,_zero_ang) fi
+enddef;
+def chg_length primary n = (_com,_len_s),(_chg_len,n) enddef;
def group_si secondary n == if known n:: (_group_si,n) else:: _nop fi enddef;
def group_dm secondary n == /n~dm enddef; def group_wf secondary n == /n~wf enddef;
def group_zf secondary n == /n~zf enddef; def group_wv secondary n == /n~wv enddef;
def group_nb secondary n == /n~nb enddef;
-vardef abs_adress primary n == n-4095 enddef;
%-------------------------------------------------------------------------------------------------
def CP = com_par enddef; def CPe = com_par_ex(0) enddef; def CPx = com_par_ex(1) enddef;
%=================================================================================================
@@ -1048,6 +1051,7 @@ def proc_skeleton(expr a)=
ef com=_com: if par=_mark: saveA:=markA; saveB:=markB; markA:=cntA; markB:=cntB;
ef par=_rest: markA:=saveA; markB:=saveB;
ef par=_moff: markA:=markB:=0; ef par=_term: termB;
+ ef par=_zero_ang: angT:=0;
ef par=_group_e: lineT:=si; lenT:=crR; rotT:=envT:=0; fi
ef com=_jp_bond: termB; nA:=getB(par); posBs:=posA[sB[nA]]; angT:=angB[nA]; f_bra:=1; rotT:=0;
ef com=_jp_atom: termB; adrT:=getA(par); posBs:=posA[adrT]; angT:=angX[adrT]; f_bra:=1; rotT:=0;
@@ -1091,7 +1095,7 @@ enddef;
vardef arrange_ang(expr n)=
if cntB=0: angT:=(angT-180) mod 360; 180
else:
- if envB>=parts_emb_start: parD[envB][cntB-temp_cntB+2]
+ if envB>=parts_emb_start: parD[envB][cntB-temp_cntB+3]
else: if envB=hz: if n=0: 60 ef n<=90: -60 ef n<=180: 60 ef n<270: -60 else: 60 fi
ef envB=vt: if n=0: -60 ef n<90: 60 ef n<=180: -60 ef n<=270: 60 else: -60 fi
ef abs(envB)<=180: envB fi
@@ -1570,15 +1574,24 @@ enddef;
def proc_report_out=
message "["&decimal(char_num)&"]:"&inf_EN;
out_file_name:=out_file_rep;
- printf "------------------------------------------------------------------";
- printf " Molecular name = "& inf_EN;
+ printf "===========================================================================";
+ printf " No."&fdr(4)(char_num)&" / Name = "& inf_EN;
+ if mc_low>=1:
+ printf "---------------------------------------------------------------------------";
+ for i=1 upto mc_low:
+ printf (substring(0,mc_indent[i]) of blank_str)&mc[i];
+ endfor
+ printf "---------------------------------------------------------------------------";
+ printf " mc length="&fdr(4)(length(mc))&" / mc low="&fdr(3)(mc_low);
+ fi
+ printf "---------------------------------------------------------------------------";
printf " Warnings = "&fdr(3)(warning_cnt)&" / Command count= "&decimal(cntD[0]);
printf " Width * Height = " & fdr(10)(mol_wd)&" * "&fdr(10)(mol_ht);
printf " Shift width * height = "& fdr(10)(minX)&" * "&fdr(10)(minY);
printf " Bond length = "&fdr(3)(blen)&" Atom size = "&fdr(3)(atom_wd);
printf " Atom count="&fdr(3)(cntA)&" Bond count="&fdr(3)(cntB)&
" Ring count="&fdr(3)(cntB-cntA+1)&" Hide H count="&fdr(3)(hideH_cnt);
- printf "------------------------------------------------------------------";
+ printf "---------------------------------------------------------------------------";
printf "< NO. ><atom(s) >( x axis , y axis )<bond><hideH><chg>";
for i=1 upto cntA:
printf " A"&fdl(6)(i)&fsl(8)(erase_brace(strD[numS[i]]))&
@@ -1587,18 +1600,16 @@ def proc_report_out=
iif(hideH[i]>0,fdr(6)(hideH[i])," ")
if chargeA[i]<>0: &fdr(4)(chargeA[i]) fi;
endfor
- printf "------------------------------------------------------------------";
+ printf "---------------------------------------------------------------------------";
printf "< NO. >< bond (sdt)><angle +( +- )><length ( pt )>";
for i=1 upto cntB:
nC:=lenB[i]; if nC=_size_atom: nC:=ratio_atom_bond; elseif nC<0: nC:=-nC; fi
- if lineB[i]<>0:
nB:=angB[i]; if nB>180: nB:=nB-360; fi
printf " B"&fdl(4)(i)&fdr(3)(sB[i])&" -> "&fdr(3)(eB[i])&
" ("&fdr(3)(bondC[i])&")"&fdr(8)(round_auto(angB[i]))&
" ("&fdr(6)(round_auto(nB))&")"&fdr(8)(nC)&" ("&fdr(8)(round_auto(nC*blen))&")";
- fi
endfor
- printf "------------------------------------------------------------------";
+ printf "---------------------------------------------------------------------------";
printf "<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ]";
for i=1 upto tbl_atom_max:
if sumA[i]>=1:
@@ -1612,12 +1623,12 @@ def proc_report_out=
fi
endfor
printf " Molecular Weight [Mono Isotopic] = "&fsr(12)(cal_MW)&"["&fsr(12)(cal_MI)&"]";
- printf "------------------------------------------------------------------";
+ printf "---------------------------------------------------------------------------";
printf " Weight Calc: " &cal_MW &" / Input: "
if inf_MW<>"-": &inf_MW &" / weight gap= " &decimal(num_MW-scantokens(inf_MW)) fi;
printf " Fomula Calc: "&cal_FM&" / Input: "
if inf_FM<>"-": &inf_FM&" / "& iif(inf_FM=cal_FM,"MACTCH","NOT MACTCH") fi;
- printf "==================================================================";
+ printf "===========================================================================";
enddef;
%=================================================================================================
def proc_mol_out=
@@ -1761,7 +1772,8 @@ NH!?!:='(NH,!,?!); NHCO!:='(NH,!,//O,!); CONH2:='(//O,!,NH2); ??:='(/_^35,/_^-35
CF2:='(/F,60,F); CCl2:='(/Cl,60,Cl); CBr2:='(/Br,60,Br);
CF3:='(/F,/F^60,60,F); CCl3:='(/Cl,/Cl^60,60,Cl); CBr3:='(/Br,/Br^60,60,Br);
%-------------------------------------------------------------------------------------------------
-lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr);
+lr:='(0,0,0,60 for i==1 upto 10:: ,-60,60 endfor);
+rl:='(0,0,0,-60 for i==1 upto 10:: ,60,-60 endfor);
for i=4,5,6: for j=2 upto i-2: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor
for i=5,6,7,8: for j=11 upto 15: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor
%-------------------------------------------------------------------------------------------------
@@ -1784,26 +1796,86 @@ def expand_set=
!SH:='(!,SH); !NO2:='(!,NO2);
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-vardef check_mc(expr s)= %%%%% prototype version %%%%%%
+vardef check_mc(expr s)=
save mc_char,mc_char,temp_c,err_cnt,char_cnt;
- string temp_c;
- numeric mc_char[];
- err_cnt:=char_cnt:=nA:=nB:=nC:=nD:=nE:=nF:=0;
+ string temp_c,err_str[],err_type[];
+ numeric mc_char[],err_adr[],err_code[];
+ err_cnt:=char_cnt:=code_cnt:=0;
+ err_type[1]:=" '(' > ')' ";
+ err_type[2]:=" '(' < ')' ";
+ err_type[3]:=" '{' > '}' ";
+ err_type[4]:=" '{' < '}' ";
+ err_type[5]:=" '[' > ']' ";
+ err_type[6]:=" '[' < ']' ";
+ err_type[7]:="missing arg";
+ err_type[8]:="extra arg ";
%-----------------------------------------------------------------------------------------------
for i=1 upto length(s):
temp_c:=subc(i,s); if temp_c<>" ": char_cnt:=char_cnt+1; mc_char[char_cnt]:=ASCII(temp_c); fi
endfor
+ mc_char[0]:=mc_char[char_cnt+1]:=mc_char[char_cnt+2]:=a_cmm;
+ %-- argument missing chkeck --------------------------------------------------------------------
+ nA:=1;
+ forever:
+ nB:=mc_char[nA-1]; nC:=mc_char[nA]; nD:=mc_char[nA+1]; nE:=mc_char[nA+2]; nF:=mc_char[nA+3];
+ %---------------------------------------------------------------------------------------------
+ if nC=a_cmm:
+ ef (nC=a_ast)and(nD=a_sls)and(nE=a_ast)and(nF=a_cmm): proc_error(7,nA) nA:=nA+3; % */* x
+ ef (nC=a_sls)and(nD=a_sls)and(nE=a_cmm): proc_error(7,nA) nA:=nA+2; % // x
+ ef (nC=a_sls)and(nD=a_ast)and(nE=a_cmm): proc_error(7,nA) nA:=nA+2; % /* x
+ ef (nC=a_ast)and(nD=a_sls)and(nE=a_cmm): proc_error(7,nA) nA:=nA+2; % */ x
+ ef (nC=a_ast)and(nD=a_ast)and(nE=a_cmm): proc_error(7,nA) nA:=nA+2; % ** x
+ ef (nC=a_hsh)and(nD=a_hsh): nA:=nA+2; % ##
+ ef (nC=a_sls)and(nD=a_cmm): proc_error(7,nA) % / x
+ ef (nC=a_dol)and(nD=a_cmm): proc_error(7,nA) % $ x
+ %--------------------------------------------------------------------------------------------
+ ef nC=a_equ: if nD= a_cmm: proc_error(7,nA) fi % = x
+ if nB= a_cmm: proc_error(7,nA) fi % x =
+ ef nC=a_cln: if nD= a_cmm: proc_error(7,nA) fi % : x
+ if nB= a_cmm: proc_error(7,nA) fi % x :
+ ef nC=a_amk: if nD= a_cmm: proc_error(7,nA) fi % @ x
+ if nB<>a_cmm: proc_error(8,nA) fi % a @
+ ef nC=a_hsh: if nD= a_cmm: proc_error(7,nA) fi % # x
+ if nB<>a_cmm: proc_error(8,nA) fi % a #
+ ef nC=a_and: if nD= a_cmm: proc_error(7,nA) fi % & x
+ if nB<>a_cmm: proc_error(8,nA) fi % a &
+ ef nC=a_gtn: if nD= a_cmm: proc_error(7,nA) fi % < x
+ if nB<>a_cmm: proc_error(8,nA) fi % a <
+ ef nC=a_ltn: if nD= a_cmm: proc_error(7,nA) fi % > x
+ if nB= a_cmm: proc_error(7,nA) fi % x >
+ ef nC=a_tld: if nD= a_cmm: proc_error(7,nA) fi % ~ x
+ if nB= a_cmm: proc_error(7,nA) fi % x ~
+ ef nC=a_hat: if nD= a_cmm: proc_error(7,nA) fi % ^ x
+ if nB= a_cmm: proc_error(7,nA) fi % x ^
+ ef nC=a_bqt: if nD= a_cmm: proc_error(7,nA) fi % ` x
+ if nB= a_cmm: proc_error(7,nA) fi % x `
+ %---------------------------------------------------------------------------------
+ fi
+ nA:=nA+1;
+ exitif nA>=char_cnt;
+ endfor
%-- check brackets -----------------------------------------------------------------------------
+ nA:=nB:=nC:=nD:=nE:=nF:=0;
for i=1 upto char_cnt:
- if mc_char[i]=a_paren_s: nA:=nA+1; ef mc_char[i]=a_paren_e: nB:=nB+1;
- ef mc_char[i]=a_brace_s: nC:=nC+1; ef mc_char[i]=a_brace_e: nD:=nD+1;
- ef mc_char[i]=a_bracket_s: nE:=nE+1; ef mc_char[i]=a_bracket_e: nF:=nF+1;
+ if mc_char[i]=a_prn_s: nA:=nA+1; ef mc_char[i]=a_prn_e: nB:=nB+1;
+ ef mc_char[i]=a_brc_s: nC:=nC+1; ef mc_char[i]=a_brc_e: nD:=nD+1;
+ ef mc_char[i]=a_brk_s: nE:=nE+1; ef mc_char[i]=a_brk_e: nF:=nF+1;
fi
endfor
- if nA<>nB: err_cnt:=err_cnt+1; fi if nC<>nD: err_cnt:=err_cnt+1; fi
- if nE<>nF: err_cnt:=err_cnt+1; fi
+ if nA>nB: proc_error(1,0) ef nA<nB: proc_error(2,0) fi
+ if nC>nD: proc_error(3,0) ef nC<nD: proc_error(4,0) fi
+ if nE>nF: proc_error(5,0) ef nE<nF: proc_error(6,0) fi
%-----------------------------------------------------------------------------------------------
- if err_cnt>=1: message "* "&decimal(err_cnt)&"fatal error"; fi
+ for i=1 upto err_cnt:
+ message "*"&fdr(3)(i)&" "&err_type[err_code[i]]&fdr(4)(err_adr[i])&" '"&err_str[i]&"'";
+ endfor
+%%%% readstring;
err_cnt
enddef;
+%-------------------------------------------------------------------------------------------------
+def proc_error(expr ERR_CODE,ADR)=
+ err_cnt:=err_cnt+1; err_adr[err_cnt]:=ADR;
+ err_code[err_cnt]:=ERR_CODE;
+ if ADR=0: err_str[err_cnt]:=" "; else: err_str[err_cnt]:=substring (ADR-3,ADR+2) of mc; fi
+enddef;
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