diff options
author | Karl Berry <karl@freefriends.org> | 2015-09-16 21:34:45 +0000 |
---|---|---|
committer | Karl Berry <karl@freefriends.org> | 2015-09-16 21:34:45 +0000 |
commit | ad2b4ce35eb65c792a7ebc1cac1d5a271b0945e1 (patch) | |
tree | a2bb35f01b53cc7eedddd9989426ada573693ed2 /Master/texmf-dist | |
parent | ce734db3a717c0331952974aa47b6d39166e8a13 (diff) |
mcf2graph (16sep15)
git-svn-id: svn://tug.org/texlive/trunk@38387 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 5 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 140 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 260019 -> 259937 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 4 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 74 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 317789 -> 318944 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 72 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 120736 -> 120786 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 40 | ||||
-rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 40 |
10 files changed, 185 insertions, 190 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index f5d109556a6..04bd1bfe190 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 : 3.63 / 2015-09-14 + version : 3.70 2015-09-16 E-mail : akira.yamaji5@gmail.com Located at : http://mirror.ctan.org/pkg/graphics/mcf2graph Home page : http://molecoding.cocolog-nifty.com/blog/ @@ -106,7 +106,7 @@ 8. Changelog ver. 3.50 / 2015-07-11 first version uploaded to ctan. ver. 3.51 / 2015-07-19 '?6`2' can use as '{,``2,?6,}' - ver. 3.52 / 2015-07-20 '!4`2' can use as '{,``2,!4,}' + ver. 3.52 / 2015-07-20 '!!4`2' can use as '{,``2,!4,}' ver. 3.53 / 2015-07-29 support luamplib(LuaLaTeX) ver. 3.54 / 2015-08-03 maximum item number of MOLinfo can be changed ver. 3.55 / 2015-08-04 support luamplib(v2.11), renew mcf_mplib_exa.tex @@ -118,3 +118,4 @@ update MCF syntax manual ver. 3.63 / 2015-09-14 add command option of numbering address, update MCF syntax manual + ver. 3.70 / 2015-09-16 add new command | ,change syntax of !,!!,?,?? 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 9db6bd3f491..835f45493fa 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2015.9.05 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2015.9.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------- @@ -26,7 +26,7 @@ endfont %*********************************************************************** beginfont("EN:Imidacloprid") MCf(^^30, - Ph1,1:N,6:/Cl,3\,!,?5,1:N,3:NH,2\\,!,NO2 + Ph,1:N,6:/Cl,3\,!,|,?5,1:N,3:NH,2\\,!,NO2 ) endfont %*********************************************************************** @@ -38,7 +38,7 @@ endfont %*********************************************************************** beginfont("EN:Thiamethoxam") MCf(^^30, - ?6,@(4,6)N,2:O,6:/Me,5\\,!,NO2,4\,!,?5,$(1,3)d,3:N,5:S,4:/Cl + ?6,@(4,6)N,2:O,6:/Me,5\\,!,NO2,4\,!,|,?5,$(1,3)d,3:N,5:S,4:/Cl ) endfont %*********************************************************************** @@ -50,7 +50,7 @@ endfont %*********************************************************************** beginfont("EN:Pyridaphenthion") MCf(^^-30, - !2,O,!,P,//S,/OEt^160>rl,!,O,!,?6,$(1,5)dl,@(2,3)N,4://O,3:/Ph + !2,O,!,P,//S,/OEt^160>rl,!,O,!,|,?6,$(1,5)dl,@(2,3)N,4://O,3:/Ph ) endfont %*********************************************************************** @@ -61,8 +61,7 @@ beginfont("EN:Fenitrothion") endfont %*********************************************************************** beginfont("EN:Permethrin") - MCf( - ^^-30, + MCf(^^-30, ?3,2^-35:*/Me,2^35:/*Me,1\,!~dl,/Cl,!,Cl, 3\,//O,!,O,!2,Ph,3\,O,-60,Ph ) @@ -82,7 +81,7 @@ endfont %*********************************************************************** beginfont("EN:Isoprothiolane") MCf(^^30, - !,/Me,!,O,!,//O,!2,//O,!,O,!,/Me,!,2\\,?5,@(2,5)S + !,/Me,!,O,!,//O,|,!2,//O,!,O,!,/Me,!,2\\,|,?5,@(2,5)S ) endfont %*********************************************************************** @@ -107,7 +106,7 @@ endfont %*********************************************************************** beginfont("EN:Captan") MCf(^^12, - ?6,6=dl,3=??5,2:N,@(7,9)//O,8\,S,!,CCl3 + ?6,6=dl,3=?5,2:N,@(7,9)//O,8\,S,!,CCl3 ) endfont %*********************************************************************** @@ -119,13 +118,13 @@ endfont %*********************************************************************** beginfont("EN:Tetraconazole") MCf(^^-6, - ?5,$(2,5)d,@(1,2,4)N,4\,!4,4:O,/F^35,/F^-35,!,CF2,#7\,Ph,@(4,6)/Cl + ?5,$(2,5)d,@(1,2,4)N,4\,!3,O,!,/F^35,/F^-35,!,CF2,#7\,Ph,@(4,6)/Cl ) endfont %*********************************************************************** beginfont("EN:Endosulfan"); MCf(^^30, - ?6`1.3,3=??7,2*,210~wf`1.45,&5~wb,6=d, + ?6`1.3,3=?7,2*,210~wf`1.45,&5~wb,6=d, @(1,2,5,6,12^-210,12^-150)/Cl,@(8,10)O,9:S,9://O ) endfont; @@ -138,7 +137,7 @@ endfont %*********************************************************************** beginfont("EN:Propiconazole") MCf(^^-6, - ?5,$(2,5)d,@(1,3,4)N,4\,!2,Ph,@(4,6)/Cl,#7\,?5,@(2,5)O,3:/Bu^24 + ?5,$(2,5)d,@(1,3,4)N,4\,!2,Ph,@(4,6)/Cl,#7\,|,?5,@(2,5)O,3:/Bu^24 ) endfont %*********************************************************************** @@ -156,7 +155,7 @@ endfont %*********************************************************************** beginfont("EN:Oxadixyl") MCf(^^30, - Ph,@(1,3)/Cl,4\,?5,2=dl,@(1,2)N,4:O,5://O,-3:/tBu,#6\,O,!2,!~tm + Ph,@(1,3)/Cl,4\,|,?5,2=dl,@(1,2)N,4:O,5://O,-3:/tBu,#6\,O,!2,!~tm ) endfont %*********************************************************************** @@ -168,13 +167,13 @@ endfont %*********************************************************************** beginfont("EN:Cafenstrole") MCf(^^30, - Ph,@(2,4,6)/Me,3\,SOO,!,?5,$(2,5)d,@(2,4,5)N,4\,!,N,/Me,!2 + Ph,@(2,4,6)/Me,3\,SOO,!,|,?5,$(2,5)d,@(2,4,5)N,4\,!,N,/Me,!2 ) endfont %*********************************************************************** beginfont("EN:Cyclosulfamuron") MCf(^^30, - Ph,5\,//O,!,??3,4\,NH,!,SOO,!,NH,!,//O,!,NH,!,Ph,@(2,6)N,@(3,5)/OMe + Ph,5\,//O,!,?3,4\,NH,!,SOO,!,NH,!,//O,!,NH,!,Ph,@(2,6)N,@(3,5)/OMe ) endfont %*********************************************************************** @@ -210,7 +209,7 @@ endfont %*********************************************************************** beginfont("EN:Trinexapac-ethyl") MCf(^^30, - ?6,@(2,4)//O,6:/COOEt,3\\,/OH,!,?3 + ?6,@(2,4)//O,6:/COOEt,3\\,/OH,!,|,?3 ) endfont %*********************************************************************** @@ -222,19 +221,19 @@ endfont %*********************************************************************** beginfont("EN:Tricyclazole") MCf(^^30, - Ph,2:/Me,3=?5,1:N,3:S,2=?5,$(2,4)dl,@(2,3)N + Ph,2:/Me,|,-4=?5,1:N,3:S,|,-3=?5,$(2,4)dl,@(2,3)N ) endfont %*********************************************************************** beginfont("EN:Phthalide") MCf(^^30, - Ph,@(1,2,5,6)/Cl,3=?5,2:O,3://O + Ph,@(1,2,5,6)/Cl,|,-4=?5,2:O,3://O ) endfont %*********************************************************************** beginfont("EN:Probenazole") MCf(^^12, - Ph,3:dl,3=?5,1:SOO,2:N,3\,O,!2,!~dr + Ph,|,-4=?5,1:SOO,2:N,3\,O,!2,!~dr ) endfont %*********************************************************************** @@ -257,24 +256,24 @@ beginfont("EN:Bromobutide") endfont %*********************************************************************** beginfont("EN:Mefenacet") - MCf(^^12, - Ph,-4=?5,3=d,3:N,1:S,2\,O,!2,//O,!,N,/Me,!,Ph + MCf(^^0, + Ph,|,-4=?5,3=d,3:N,1:S,2\,O,!2,//O,!,N,/Me,!,Ph ) endfont %*********************************************************************** beginfont("EN:Rifampicin") MCf(^^30, - Ph,6:/Me^30,5:/OH,-6=?5,1:O,3://O,2:/*Me^60,#3=?6,@(2,4)d,@(1,4)/OH, + Ph,6:/Me^30,5:/OH,|,-6=?5,1:O,3://O,2:/*Me^60,|,#3=?6,@(2,4)d,@(1,4)/OH, {,``1,-2\,NH,60,//O,-60,/Me,60~dl,60,60~dl,-60, */Me,60,/*OH,-60,/*Me,60,/*OH,60,*/Me^30,-60, 60,/*Me^30,-53,/*OMe,66,-53~dl,66`1.2,O,},&(#8), - #11\,!~dr,N,!,?6,@(1,4)N,4:/Me + #11\,!~dr,N,!,|,?6,@(1,4)N,4:/Me ) endfont %*********************************************************************** beginfont("EN:Wortmanin") MCf(^^30, - ?6,$(-4,-2)??6,-4=??5,(2,7)=??5[3], + ?6,$(-4,-2)?6,-4=?5,(2,7)=?5[3], 6:O,1://O,$(7,10)dl,8://O,17://O,-3=d,-1:O, @(4,12)*/Me^60,11:/*H^-60, #5\*,60,O,!,#14\*^-25,//O,!,O,! @@ -283,7 +282,7 @@ endfont %*********************************************************************** beginfont("EN:Ampicillin") MCf(^^45, - ?4,-3=??5,2:N,7:S, + ?4,-3=?5,2:N,7:S, @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/Me, ,4\^75,NH,!,//O,!,NH,!,Ph, ) @@ -292,8 +291,8 @@ endfont beginfont("EN:Validamycin") MCf(^^30, ?6,@(5,6)/OH,3\,-60,OH, - #4\,O,-60,?6,2:O,@(3,4,5,6)/OH, - #1\,NH,!,?6,2=d,@(4,5,6)/OH,-4\,!,OH + #4\,O,-60,|,?6,2:O,@(3,4,5,6)/OH, + #1\,NH,!,|,?6,2=d,@(4,5,6)/OH,-4\,!,OH ) endfont %********************************************************************** @@ -306,24 +305,24 @@ endfont beginfont("EN:Etyprostontromethamine") MCf(^^0, ?5,@(2,5)/*OH, - #3*\^6,!~dl,!3,O,0,Ph,#8*,?5,@(1,4)O,#4\*^-6,!,30~dl,30,!3,COOH + #3*\^6,!~dl,!3,O,0,Ph,#8*,|,?5,@(1,4)O,#4\*^-6,!,30~dl,30,!3,COOH ) endfont %*********************************************************************** beginfont("EN:Chlorophyll a") MCf(^^54, - {,``1,?5,$(2,5)dl,4:N,3\,54~dl,?5,$(2,4)dl,5:N, - -2\,54~dl,?5,2=d,5:N,-2\~dl,54,?5,5=d,5:N,-2\~dl,&(#5), + {,``1,??5,$(2,5)dl,4:N,3\,54~dl,??5,$(2,4)dl,5:N, + -2\,54~dl,??5,2=d,5:N,-2\~dl,54,??5,5=d,5:N,-2\~dl,&(#5), -1*,24,/*COOMe^15,72,//O,&(#1),}, @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, #4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, - #21*,-6~wf,!2,//O,!,O,!2,!~dl,!13,@(1,5,9,13)/Me + #21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me ) endfont %********************************************************************** beginfont("EN:Gibberellin A3"); MCf(^^12, - ?6`1.3,3=??5,9=??7,12\^160`1.6,&8, + ?6`1.3,3=?5,9=?7,12\^160`1.6,&8, 4\^155~zf`1.2,O,55,//O^180`1,&2~zb, 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me, @(3^-60,9^60)*/H @@ -332,7 +331,7 @@ endfont; %********************************************************************** beginfont("EN:Cholesterol") MCf(^^30, - ?6,$(-4,-2)??6,-4=??5,7=dl, + ?6,$(-4,-2)?6,-4=?5,7=dl, 1:*/OH,@(4,12)*/Me^60, 10:/*H^180,@(11,-1)/*H^-60,9:*/H^60, -1\^17,/*Me,!4,/Me,! @@ -341,7 +340,7 @@ endfont %*********************************************************************** beginfont("EN:Lycorine") MCf(^^30, - Ph,-4=??6,-2=??6,6=??5,(9,12)=??5[3],13=dl,8:N,@(15,17)O, + Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,@(15,17)O, 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH ) endfont @@ -356,64 +355,64 @@ endfont beginfont("EN:beta-Carotene") MCf(^^30, ?6,3=dl,@(3,5^35,5^-35)/Me, - 4\,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/Me, - ?6,6=dl,@(6,2^35,2^-35)/Me + 4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/Me, + |,?6,6=dl,@(6,2^35,2^-35)/Me ) endfont %********************************************************************** beginfont("EN:alfa-Tocopherol") MCf(^^30, - Ph,3=??6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, - 8\,!12,@(4,8)/*Me,12:/Me + Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, + 8\,|,!12,@(4,8)/*Me,12:/Me ) endfont %********************************************************************** beginfont("EN:Qercetin") MCf(^^30, - Ph,3=??6,9\,ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH + Ph,3=?6,9\,ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH ) endfont %*********************************************************************** beginfont("EN:Limonin") MCf(^^30, - ?6,$(-3,-4)??6,-5=??3,-2=wf,-1=wb,6=??5,-4=??6,-5=wf, + ?6,$(-3,-4)?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, @(13,15,17,20)O,@(3,12,21)//O, @(4~wf^60,8~zf^60,18^35,18^-35)/Me,@(1^60,5^180,16^60)/*H, - 14\*,?5,$(1,4)dl,3:O + 14\*,|,?5,$(1,4)dl,3:O ) endfont %********************************************************************** beginfont("EN:Cromolyn") MCf(^^30, - Ph,-1=?6,3:d,-4:O,-1://O,-3:/COOH, - #2\,O,!2,/OH,!2,O,60,Ph,-5=?6,3=d,-1:O,-4://O,-2:/COOH + Ph,|,-1=?6,3:d,-4:O,-1://O,-3:/COOH, + #2\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=d,-1:O,-4://O,-2:/COOH ) endfont %********************************************************************** beginfont("EN:Emetine") MCf(^^30, - Ph,$(-4,-4)??6,8:N,@(1,6)/OMe,-2:/*Et,@(7^-60,12^-60)/*H, - -3\,!~zb,^^-60,?6,5=d,2:NH,-6^-60:*/H,-2=?6,$(2,4)dl + Ph,$(-4,-4)?6,8:N,@(1,6)/OMe,-2:/*Et,@(7^-60,12^-60)/*H, + -3\,!~zb,^^-60,|,?6,5=d,2:NH,-6^-60:*/H,|,-2=?6,$(2,4)dl ) endfont %*********************************************************************** beginfont("EN:Colchicine") MCf(^^30, - Ph,@(1,2,6)/OMe,-4=?7,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe, + Ph,@(1,2,6)/OMe,|,-4=?7,|,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe, #9\,NH,!,//O,! ) endfont %*********************************************************************** beginfont("EN:Caffeine") MCf(^^30, - ?6,3=d,@(2,6)N,@(2,6)/Me,@(1,5)//O,-4=?5,2=d,@(1,3)N,3:/Me + ?6,3=d,@(2,6)N,@(2,6)/Me,@(1,5)//O,|,-4=?5,2=dl,@(1,3)N,3:/Me ) endfont %********************************************************************** beginfont("EN:Acronycine") MCf(^^30, - Ph,-4=?6,1:N,4://O,,1:/Me,-3=Ph2,-1:/OMe, - -4=?6,2=d,4:O,-2^-35:/Me,-2^35:/Me + Ph,|,-4=?6,1:N,4://O,,1:/Me,-3=Ph2,-1:/OMe, + |,-4=?6,2=d,4:O,-2^-35:/Me,-2^35:/Me ) endfont %*********************************************************************** @@ -425,57 +424,58 @@ endfont %********************************************************************** beginfont("EN:Piperine") MCf(^^30, - Ph,-1=?5,@(1,3)O,#4\,!~dr,!,!~dr,!,//O,!,?6,1:N + Ph,|,-1=?5,@(1,3)O,#4\,!~dr,!,!~dr,!,//O,!,|,?6,1:N ) endfont %*********************************************************************** beginfont("EN:Febrifugine") MCf(^^30, - Ph,-4=?6,2=d,@(1,3)N,4://O,#9\,!,//O,!,!~zf,?6,2:NH,-1:*/OH + Ph,|,-4=?6,2=d,@(1,3)N,4://O,#9\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH ) endfont %*********************************************************************** beginfont("EN:Mitomycine C") MCf(^^30, - ?6,$(3,6)dl,@(2,5)//O,1:/Me,-4=?5,1:N,#6:/NH2,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH, + ?6,$(3,6)dl,@(2,5)//O,1:/Me,|,-4=?5,1:N, + #6:/NH2,|,-3=?5,|,-2=?3,-1=wb,-2=wf,-1:NH, #8:/*OMe^35,#9\`1^17.9,!,O,!,//O,!,NH2 ) endfont %*********************************************************************** beginfont("EN:Podophyllotoxin"); MCf(^^0, - ?5,@(2,5)O,-3=ph2,-3=??6,-3=??5,-2:O,-1=wb,-3://O, + ?5,@(2,5)O,-3=ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O, 10\*,Ph,@(-2,-3,-4)/OMe,#13:/*OH,@(#11~wf^-60,#12~zf^60)/H ) endfont; %*********************************************************************** beginfont("EN:Warfarin"); MCf(^^30, - Ph,3=??6,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,! + Ph,3=?6,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,! ) endfont; %*********************************************************************** beginfont("EN:Genistein"); MCf(^^30, - Ph,3=??6,10:O,@(2,6)/OH,9://O,8\,Ph,-3:/OH + Ph,3=?6,10:O,@(2,6)/OH,9://O,8\,Ph,-3:/OH ) endfont; %*********************************************************************** beginfont("EN:Baicalein"); MCf(^^30, - Ph,3=??6,10:O,@(1,2,6)/OH,9://O,8\,Ph + Ph,3=?6,10:O,@(1,2,6)/OH,9://O,8\,Ph ) endfont; %*********************************************************************** beginfont("EN:Baicalein"); MCf(^^30, - Ph,3=??6,9=d,10:O,@(1,2,6)/OH,7://O,-2\,Ph + Ph,3=?6,9=d,10:O,@(1,2,6)/OH,7://O,-2\,Ph ) endfont; %*********************************************************************** beginfont("EN:Reserpine"); MCf(^^30, - Ph,-4=??5,-2=??6,-4=??6,-3=??6,9=dl,11:N,7:NH,10:*/H^-60, + Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, @(15^-60,16^60)/*H, #20*\,O,!,//O,!,Ph,@(-2,-3,-4)/OMe,@(#1,#19~zf>rl)/OMe, #18*\,//O,!,O,! @@ -484,7 +484,7 @@ endfont; %*********************************************************************** beginfont("EN:Rotenone"); MCf(^^-60, - ?5,$(-3,-2,-3,-4)??6,$(7,9,-2,-4)dl,$(3,17)dr, + ?5,$(-3,-2,-3,-4)?6,$(7,9,-2,-4)dl,$(3,17)dr, @(2,13,16)O,10://O,@(11^-60,12^60)*/H, @(-2,-3)/OMe,1*\,/Me,!~dl ) @@ -493,7 +493,7 @@ endfont; beginfont("EN:Pyrethrin I"); MCf(^^30, ?3,@(3^35~wf,3^-35~zf)/Me,1*\,!~dl,iPr, - 2\*,//O,!,O,-36~zb,?5,-2=d,-1:/Me,-3://O, + 2\*,//O,!,O,-36~zb,|,?5,-2=d,-1:/Me,-3://O, -2\,!4,$(-1,-3)dl ) endfont; @@ -503,8 +503,8 @@ MCf(^^30, {,``1,^^-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1, 14:O,13:/*Et,@(1,9)//O,@(2,10)*/Me,@(4,6^-35,8,12^35)/*Me, @(6^35,11,12^-35)*/OH, - #3\*,O,30,?6`.7,2:O,@(3,5^35)/Me,4:/OH,5^-35:/OMe, - #5\*^30`1.7,O,!,?6`.7,6:O,5:/Me,2:/OH,3:/NMeMe + #3\*,O,30,|,?6`.7,2:O,@(3,5^35)/Me,4:/OH,5^-35:/OMe, + #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/Me,2:/OH,3:/NMeMe ) endfont; %********************************************************************** @@ -521,23 +521,23 @@ endfont %********************************************************************** beginfont("EN:Mevastatin") MCf(^^30, - ?6,2=d,4:*/H^60,,3=?6,2=d,9:*/Me, - #10*\,!,60~wb,?6,6:O,-2://O,-4:/*OH, + ?6,2=d,4:*/H^60,|,-4=?6,2=dl,9:*/Me, + #10*\,!,60~wb,|,?6,6:O,-2://O,-4:/*OH, #5\*,O,60,//O,!,*/Me,!2 ) endfont %*********************************************************************** beginfont("EN:Sesamine") MCf(^^54, - ?5,1=??5,@(4,7)O,@(1^-54,2^54)*/H, - #5*\^-12,Ph,-3=?5,@(-1,-3)O, - #8*\^-12,Ph,-3=?5,@(-1,-3)O + ?5,1=?5,@(4,7)O,@(1^-54,2^54)*/H, + #5*\^-12,Ph,|,-3=?5,@(-1,-3)O, + #8*\^-12,Ph,|,-3=?5,@(-1,-3)O ) endfont %********************************************************************** beginfont("EN:Morphine") MCf(^^30, - Ph,2=??6,-4=??6,(#1,#12)=??5[2],-1:O,-1=zb, + Ph,2=?6,-4=?6,(#1,#12)=?5[2],-1:O,-1=zb, 7*,60~wf`0.75,70~ov`1.3,45,N,/Me,&9~wb, 15=d,6:/OH,8^180:*/H,12:/*OH ) @@ -545,7 +545,7 @@ endfont %********************************************************************** beginfont("EN:Capsaicin") MCf(^^30, - Ph,1:/OH,6:/OMe,4\,!,NH,!,//O,!8,-3=dr,-1:/Me + Ph,1:/OH,6:/OMe,4\,!,NH,!,//O,|,!8,-3=dr,-1:/Me ) endfont %*********************************************************************** @@ -553,14 +553,14 @@ beginfont("EN:Quinine") MCf(^^30, Ph,3=ph,7:N,6:/OMe, 10\,*/OH,/H~zf^-60,!, - ?6,2:N,1:*/H^60,4*\,!~dr,2*,165~zf,60,&5~zb + |,?6,2:N,1:*/H^60,4*\,!~dr,2*,165~zf,60,&5~zb ) endfont %*********************************************************************** beginfont("EN:Atoropin") MCf(^^-30, O,!,//O,!,!,Ph, - #1\~zb^-120,?7`1.1,6*\^190`1.25,N,/Me,&3~wb, + #1\~zb^-120,|,?7`1.1,6*\^190`1.25,N,/Me,&3~wb, #3\~wv,!,OH ) endfont diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex 6d28876c3c3..8489ba4ea05 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index 0d25e6c5e7f..762d408eba0 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2015.9.05 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2015.9.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} @@ -57,7 +57,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \begin{document} {\hspace{20mm} \LARGE\bf Molecular Coding Format examples \hspace{10mm} }% -{\footnotesize\bf by Akira Yamaji 2015.9.05} \vspace{5mm}\\ +{\footnotesize\bf by Akira Yamaji 2015.9.16} \vspace{5mm}\\ \fontnum=1% \noindent% %------------------------------------------------------------------------ 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 2b6f04c698a..1b2c7250b0b 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 2015.9.12 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2015.9.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %----------------------------------------------------------------------- @@ -53,18 +53,18 @@ endfont beginfont("EN:change bond length1") sw_start_vector:=1; sw_numberB:=1; - MCf(^^30,!2,!2`1.2,!) + MCf(^^30,!2,!2`1.2,!2) endfont %*********************************************************************** beginfont("EN:change bond length2") sw_start_vector:=1; sw_numberB:=1; - MCf(^^30,!2,``1.2,!2,!) + MCf(^^30,!2,``1.2,!4) endfont %*********************************************************************** beginfont("EN:change bond length3") sw_start_vector:=1; - MCf(^^30,?6,3\,?6`1.2,4=??6) + MCf(^^30,?6,3\,??6`1.2,4=?6) endfont %*********************************************************************** beginfont("EN:change atom 1") @@ -79,28 +79,28 @@ beginfont("EN:change atom 2") endfont %*********************************************************************** beginfont("EN:change atom 3") - MCd(.5,.5)(.5,.9)(?6,4\,??6,2:N) + MCd(.5,.5)(.5,.9)(?6,4\,?6,2:N) sw_numberA:=1; - MCd(.5,.5)(.5,.1)(?6,4\,??6) + MCd(.5,.5)(.5,.1)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom 4") - MCd(.5,.5)(.5,.9)(?6,4\,?6,2:N) + MCd(.5,.5)(.5,.9)(?6,4\,??6,2:N) sw_numberA:=2; numberA_start:=7; - MCd(.5,.5)(.5,.1)(?6,4\,?6) + MCd(.5,.5)(.5,.1)(?6,4\,??6) endfont %*********************************************************************** beginfont("EN:change atom 5") - MCd(.5,.5)(.5,.9)(?6,4\,??6,#2:N) + MCd(.5,.5)(.5,.9)(?6,4\,?6,#2:N) sw_numberA:=1; - MCd(.5,.5)(.5,.1)(?6,4\,??6) + MCd(.5,.5)(.5,.1)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom 6") - MCd(.5,.5)(.5,.9)(?6,4\,?6,-2:N) + MCd(.5,.5)(.5,.9)(?6,4\,??6,-2:N) sw_numberA:=3; - MCd(.5,.5)(.5,.1)(?6,4\,?6) + MCd(.5,.5)(.5,.1)(?6,4\,??6) endfont %*********************************************************************** beginfont("EN:fused ring 1") @@ -113,24 +113,24 @@ endfont beginfont("EN:fused ring 1") sw_start_vector:=1; sw_numberB:=1; - MCf(^^30,?6,$(3,3)?6) + MCf(^^30,?6,$(3,9)?6) endfont %*********************************************************************** beginfont("EN:fused ring 2") sw_numberB:=1; numberB_end:=11; - MCd(1,.7)(0,0)(^^30,?6,$(3)??6,(11,4)=??6[4]) - MCd(1,.6)(.5,1)(^^30,?6,$(3)??6,(11,4)=??5[3]) - MCd(1,.6)(1,0)(^^30,?6,$(3)??6,(11,4)=??4[2]) + MCd(1,.7)( 0,0)(^^30,?6,$(3)?6,(11,4)=?6[4]) + MCd(1,.6)(.5,1)(^^30,?6,$(3)?6,(11,4)=?5[3]) + MCd(1,.6)(1, 0)(^^30,?6,$(3)?6,(11,4)=?4[2]) endfont %*********************************************************************** beginfont("EN:fused ring 3") sw_numberB:=1; numberB_end:=16; - MCd(1,.55)(0,0)(?6,$(3,10)??6,(16,4)=??6[3]) - MCd(1,.55)(.43,1)(?6,$(3,10)??6,(16,4)=??5[2]) + MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3]) + MCd(1,.55)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2]) numberB_end:=21; - MCd(1,.53)(1,0)(^^30,?6,$(2,10,15)??6,(21,3)=??6[2]) + MCd(1,.53)(1,0)(^^30,?6,$(2,10,15)?6,(21,3)=?6[2]) endfont %*********************************************************************** beginfont("EN:Spiro ring ") @@ -237,7 +237,7 @@ endfont %*********************************************************************** beginfont("EN:Ampicillin") MCf(^^45, - ?4,2:N,2=??5,-1:S, + ?4,2:N,2=?5,-1:S, @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/Me, 4\^75,NH,!,//O,!,NH,!,Ph ) @@ -245,7 +245,7 @@ endfont %*********************************************************************** beginfont("EN:Cholesterol") MCf( - ^^30,?6,$(-4,-2)??6,-4=??5,7=dl, + ^^30,?6,$(-4,-2)?6,-4=?5,7=dl, 1:*/OH,@(4,12)*/Me^60,9:*/H^60, 10:/*H^180,@(11,-1)/*H^-60, -1\^17,/*Me,!4,/Me,!, @@ -254,27 +254,27 @@ endfont %*********************************************************************** beginfont("EN:alfa-Tocopherol") MCf(^^30, - Ph,3=??6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, + Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, 8\,!12,@(4,8)/*Me,12:/Me ) endfont %*********************************************************************** beginfont("EN:Caffeine") MCf(^^30, - ?6,-4=??5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O + ?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O ) endfont %*********************************************************************** beginfont("EN:Lycorine") MCf(^^30, - Ph,-4=??6,-2=??6,6=??5,(9,12)=??5[3],13=dl,8:N,@(15,17)O, + 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:Gibberellin A3"); MCf( - ^^12,?6`1.3,3=??5,9=??7,12\^160`1.6,&8, + ^^12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8, 4\^155~zf`1.2,O,55,//O^180`1,&2~zb, 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me, @(3^-60,9^60)*/H @@ -286,7 +286,7 @@ beginfont("EN:Font size") font_ht#:=20mm#;% sw_font_frame:=1; MCf(^^30, - ?6,-4=??5,$(3,8)dl,@(2,6,7,9)N, + ?6,-4=?5,$(3,8)dl,@(2,6,7,9)N, @(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** @@ -429,23 +429,17 @@ endfont beginfont("EN:Switwch numberingA") ratio_chain_ring:=1; numberA_start:=3; numberA_end:=8; - sw_numberA:=1; - MCd(1,1)(.5,.9)(^^30,!9) - sw_numberA:=2; - MCd(1,1)(.5,.5)(^^30,!9) - sw_numberA:=3; - MCd(1,1)(.5,.1)(^^30,!9) + sw_numberA:=1; MCd(1,1)(.5,.9)(^^30,!9) + sw_numberA:=2; MCd(1,1)(.5,.5)(^^30,!9) + sw_numberA:=3; MCd(1,1)(.5,.1)(^^30,!9) endfont %*********************************************************************** beginfont("EN:Switwch numberingB") ratio_chain_ring:=1; numberB_start:=3; numberB_end:=8; - sw_numberB:=1; - MCd(1,1)(.5,.9)(^^30,!9) - sw_numberB:=2; - MCd(1,1)(.5,.5)(^^30,!9) - sw_numberB:=3; - MCd(1,1)(.5,.1)(^^30,!9) + sw_numberB:=1; MCd(1,1)(.5,.9)(^^30,!9) + sw_numberB:=2; MCd(1,1)(.5,.5)(^^30,!9) + sw_numberB:=3; MCd(1,1)(.5,.1)(^^30,!9) endfont %*********************************************************************** beginfont("EN:Switwch font frame") @@ -506,13 +500,13 @@ sw_mol_frame:=0; %% Output molecular infomation beginfont() sw_logout:=sw_info_weight:=sw_info_formula:=1; -MCf(^^30,?6,-4=??5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) +MCf(^^30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** %% Output additional infomation beginfont("EN:Caffeine","CAS:58-08-2") sw_logout:=1; -MCf(^^30,?6,-4=??5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) +MCf(^^30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** bye diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex f2d07399fbe..059d99addac 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 45be0f4ad43..14b31722ee9 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 2015.9.14 +% Molecular Coding Format manual by Akira Yamaji 2015.9.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} @@ -34,7 +34,7 @@ \noindent% \begin{picture}(180,0) \put(20,9){{\LARGE\bf Molecular Coding Format manual}\hspace{10mm} - by Akira Yamaji 2015.9.14} + by Akira Yamaji 2015.9.16} \end{picture}\vspace{-4.2mm}\\ %---------------------------------------------------------------------------- \begin{minipage}[t][38mm]{100mm} @@ -52,13 +52,13 @@ bold arrow is default angle and position \begin{minipage}[t][38mm]{100mm} \MCFtitle{Chain (2)} \begin{verbatim} -!,!!: take 60 or -60 depend on +!,: take 60 or -60 depend on current angle and enviroment !6 (!!6) - ** !!6: !,!,!,!,!,! - !6: {,!!6,} + ** !6: !,!,!,!,!,! + !!6: {,!6,} \end{verbatim} \end{minipage} \MCFstructure @@ -71,8 +71,8 @@ six membered ring ?6 (??6) - ** ??6 :^^-120,60,60,60,60,60,&(-5) - ?6 : {,??6,} + ** ?6 :^^-120,60,60,60,60,60,&(-5) + ??6 : {,?6,} \end{verbatim} \end{minipage} @@ -124,7 +124,7 @@ six membered ring \begin{verbatim} Bn`length : change bond length at Bn - ^^30,!2,!2`1.2,! + ^^30,!2,!2`1.2,!2 \end{verbatim} \end{minipage} \MCFstructure @@ -135,7 +135,7 @@ Bn`length : change bond length at Bn \begin{verbatim} ``length : change all bond length after - ^^30,!2,``1.2,!2,! + ^^30,!2,``1.2,!3 \end{verbatim} \end{minipage} \MCFstructure @@ -146,7 +146,7 @@ Bn`length : change bond length at Bn \begin{verbatim} ?n`length : change ring length - ^^30,?6,3\,?6`1.2,4=??6 + ^^30,?6,3\,|,?6`1.2,4=??6 \end{verbatim} \end{minipage} \MCFstructure @@ -181,9 +181,8 @@ An(n:numeric): atom number \MCFtitle{Change atom (3)} \begin{verbatim} 2:N : change A2 C to N -??6 do not make brock - ?6,4\,??6,2:N + ?6,4\,?6,2:N \end{verbatim} \end{minipage} \MCFstructure @@ -194,8 +193,9 @@ An(n:numeric): atom number \begin{verbatim} 2:N : change A2(brock address) C to N -?6,4\,?6,2:N +?6,4\,|,?6,2:N +| : divide brock \end{verbatim} \end{minipage} \MCFstructure @@ -206,7 +206,7 @@ An(n:numeric): atom number \begin{verbatim} #2:N : change A#2 C to N - ?6,4\,?6,#2:N + ?6,4\,|,?6,#2:N \end{verbatim} \end{minipage} \MCFstructure @@ -240,8 +240,8 @@ Bn(n:numeric): bond number \MCFtitle{Fuse multi ring (attached 1 bond)} \begin{verbatim} -?6,$(3,3)?6 => OK ?6,$(3,3)??6 => NG -?6,$(3,9)?6 => NG ?6,$(3,9)??6 => OK +?6,$(3,3)?6 => NG ?6,$(3,3)??6 => OK +?6,$(3,9)?6 => OK ?6,$(3,9)??6 => NG ?6,$(-4,-3)?6 => OK ?6,$(-4,-3)??6 => OK ?6,$(#3,#9)?6 => OK ?6,$(#3,#9)??6 => OK @@ -253,13 +253,13 @@ Bn(n:numeric): bond number \begin{minipage}[t][38mm]{100mm} \MCFtitle{Fuse ring (attached 2 bond)} \begin{verbatim} -(4,11)=??6[4] : fuse 4/6 ring to B11..B4 -(4,11)=??5[3] : fuse 3/5 ring to B11..B4 -(4,11)=??4[2] : fuse 2/4 ring to B11..B4 +(4,11)=?6[4] : fuse 4/6 ring to B11..B4 +(4,11)=?5[3] : fuse 3/5 ring to B11..B4 +(4,11)=?4[2] : fuse 2/4 ring to B11..B4 - MCd(1,.7)( 0,0)(^^30,?6,$(3)??6,(11,4)=??6[4]) - MCd(1,.6)(.5,1)(^^30,?6,$(3)??6,(11,4)=??5[3]) - MCd(1,.6)( 1,0)(^^30,?6,$(3)??6,(11,4)=??4[2]) + MCd(1,.7)( 0,0)(^^30,?6,$(3)?6,(11,4)=?6[4]) + MCd(1,.6)(.5,1)(^^30,?6,$(3)?6,(11,4)=?5[3]) + MCd(1,.6)( 1,0)(^^30,?6,$(3)?6,(11,4)=?4[2]) \end{verbatim} \end{minipage} \MCFstructure @@ -268,13 +268,13 @@ Bn(n:numeric): bond number \begin{minipage}[t][38mm]{100mm} \MCFtitle{Fuse ring (attached 3,4 bond)} \begin{verbatim} -(16,4)=??6[3] : fuse 3/6 ring to B16..B4 -(16,4)=??5[2] : fuse 2/5 ring to B16..B4 -(21,3)=??6[2] : fuse 2/6 ring to B21..B3 +(16,4)=?6[3] : fuse 3/6 ring to B16..B4 +(16,4)=?5[2] : fuse 2/5 ring to B16..B4 +(21,3)=?6[2] : fuse 2/6 ring to B21..B3 -MCd(1,.55)(0,0)(?6,$(3,10)??6,(16,4)=??6[3]) -MCd(1,.55)(.43,1)(?6,$(3,10)??6,(16,4)=??5[2]) -MCd(1,.53)(1,0)(^^30,?6,$(2,10,15)??6,(21,3)=??6[2]) +MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3]) +MCd(1,.55)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2]) +MCd(1,.53)(1,0)(^^30,?6,$(2,10,15)?6,(21,3)=?6[2]) \end{verbatim} \end{minipage} \MCFstructure @@ -519,7 +519,7 @@ Insert user defined substructure \begin{verbatim} ^^45, - ?4,2:N,2=??5,-1:S, + ?4,2:N,2=?5,-1:S, @(3^45,4^-45)/*H,1://O^15, 5:/*COOH^-18,@(6^35,6^-35)/Me, 4\^75,NH,!,//O,!,NH,!,Ph @@ -533,7 +533,7 @@ Insert user defined substructure \begin{verbatim} ^^30, - ?6,$(-4,-2)??6,-4=??5,7=dl, + ?6,$(-4,-2)?6,-4=?5,7=dl, 1:*/OH,@(4,12)*/Me^60,9:*/H^60, 10:/*H^180,@(11,-1)/*H^-60, -1\^17,/*Me,!4,/Me,!, @@ -547,9 +547,9 @@ Insert user defined substructure \begin{verbatim} ^^30, - Ph,3=??6, + Ph,3=?6, 7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, - 8\,!12,@(4,8)/*Me,12:/Me + 8\,|,!12,@(4,8)/*Me,12:/Me \end{verbatim} \end{minipage} \MCFstructure @@ -560,7 +560,7 @@ Insert user defined substructure \begin{verbatim} ^^30, - ?6,-4=??5,$(3,8)dl,@(2,6,7,9)N, + ?6,-4=?5,$(3,8)dl,@(2,6,7,9)N, @(2,6,9)/Me,@(1,5)//O \end{verbatim} \end{minipage} @@ -572,7 +572,7 @@ Insert user defined substructure \begin{verbatim} ^^30, - Ph,-4=??6,-2=??6,6=??5,(9,12)=??5[3], + 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 \end{verbatim} @@ -585,7 +585,7 @@ Insert user defined substructure \begin{verbatim} ^^12, - ?6`1.3,3=??5,9=??7,12\^160`1.6,&8, + ?6`1.3,3=?5,9=?7,12\^160`1.6,&8, 4\^155~zf`1.2,O,55,//O^180`1,&2~zb, 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH, 12:/*OH,2:*/Me,@(3^-60,9^60)*/H @@ -601,7 +601,7 @@ Insert user defined substructure font_wd#:=30mm#; %<==font width font_ht#:=20mm#; %<==font height sw_font_frame:=1; - MCf(^^30,?6,-4=??5,$(3,8)dl,@(2,6,7,9)N, + MCf(^^30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N, @(2,6,9)/Me,@(1,5)//O) endfont \end{verbatim} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex 8d911ba9f26..a143856b249 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf 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 a1cebda9941..6e00c56a63e 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2015.9.06 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2015.9.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass{article} %------------------------------------------------------------------------------- @@ -61,7 +61,7 @@ %------------------------------------------------------------------------------------ \begin{document} {\Large\bf MCF example for luamplib(LuaLaTeX) }% - \hspace{10mm} by Akira Yamaji 2015.9.06\vspace{6mm}\\ + \hspace{10mm} by Akira Yamaji 2015.9.16\vspace{6mm}\\ %------------------------------------------------------------------------------------ {{\small {\tt FM(C) :} molecular formula calculated by mcf2graph}\\ {{\small {\tt MW(C) :} molecular weight calculated by mcf2graph}\\ @@ -70,12 +70,12 @@ font_wd:=100mm; font_ht:=50mm; beginfont("NO:1","EN:Chlorophyll a","MW:893.49") MCf(^^54, - {,``1,?5,$(2,5)d,4:N,3\,54~dl,?5,$(2,4)d,5:N, - -2\,54~dl,?5,2=d,5:N,-2\~dl,54,?5,5=d,5:N,-2\~dl,&(#5), + {,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N, + -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&(#5), -1*,24,/*COOMe^15,72,//O,&(#1),}, 4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, - 21*,-6~wf,!2,//O,!,O,!2,!~dl,!13,@(1,5,9,13)/Me, + 21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me, ) endfont \end{mplibcode} @@ -86,10 +86,10 @@ font_wd:=60mm; font_ht:=35mm; beginfont("NO:2","EN:Limonin","MW:470.51") MCf(^^30, - ?6,$(-3,-4)??6,-5=??3,-2=wf,-1=wb,6=??5,-4=??6,-5=wf, + ?6,$(-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^60,18^35,18^-35)/Me,@(1^60,5^180,16^60)/*H, - 14\*,?5,$(1,4)dl,3:O + 14\*,|,?5,$(1,4)dl,3:O ) endfont \end{mplibcode} @@ -101,8 +101,8 @@ beginfont("NO:3","EN:beta-carotene","MW:536.87") MCf(^^30, ?6,3=dl,@(3,5^35,5^-35)/Me, - 4\,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/Me, - ?6,6=dl,@(6,2^35,2^-35)/Me + 4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/Me, + |,?6,6=dl,@(6,2^35,2^-35)/Me ) endfont \end{mplibcode} @@ -113,7 +113,7 @@ font_wd:=50mm; font_ht:=40mm; beginfont("NO:4","EN:Gibberellin A3","MW:346.37"); MCf(^^12, - ?6`1.3,3=??5,9=??7,12\^160`1.6,&8, + ?6`1.3,3=?5,9=?7,12\^160`1.6,&8, 4\^155~zf`1.2,O,55,//O^180`1,&2~zb, 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me, @(3^-60,9^60)*/H @@ -130,8 +130,8 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93"); {,``1,^^-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1, 14:O,13:/*Et,@(1,9)//O,@(2,10)*/Me,@(4,6^-35,8,12^35)/*Me, @(6^35,11,12^-35)*/OH, - #3\*,O,30,?6`.7,2:O,@(3,5^35)/Me,4:/OH,5^-35:/OMe, - #5\*^30`1.7,O,!,?6`.7,6:O,5:/Me,2:/OH,3:/NMeMe + #3\*,O,30,|,?6`.7,2:O,@(3,5^35)/Me,4:/OH,5^-35:/OMe, + #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/Me,2:/OH,3:/NMeMe ) endfont; \end{mplibcode} @@ -150,8 +150,8 @@ beginfont("NO:6","EN:Vancomycin","MW:1449.25"); @(1^180,4^180)*/H,@(7^-60,10^60,14^60)/*H, #10*\^-60,60,//O,!,NH2, #13*\,NH,!,//O,!,/'(!,iPr)^-35>60,*/H^60,!~zf,NH,!, - #23\,O,!,?6`.7,2:O,3^10:/'(!,OH),@(4,5)/OH,, - -1\,O,!,?6`.7,6:O,@(3^35,5)/Me,3^-35:/NH2,4:/OH + #23\,O,!,|,?6`.7,2:O,3^10:/'(!,OH),@(4,5)/OH,, + -1\,O,!,|,?6`.7,6:O,@(3^35,5)/Me,3^-35:/NH2,4:/OH ) endfont; \end{mplibcode} @@ -162,10 +162,10 @@ endfont; font_wd:=150mm; font_ht:=80mm; beginfont("NO:7","EN:Maitotoxin","MW:3425.86") MCf(^^55.8, - ?6,-4=??7 ,$(-4,-3,-3,-3)??6,-3\,!!3,??6,$(-4,-3,-3,-3)??6, - -3\,??6,-3=??6,-3\,!!3,60,^^-30,??6,-3=??6, - -3\^30,^^30,??6,$(-3,-3)??6,-3=??7,$(-4,-3,-3)??6, - -2\,??6,-3=??6,-3=??7,$(-3,-3)??6,-3=??8,-3=dl,$(-5,-3,-3,-3)??6, + ?6,-4=?7 ,$(-4,-3,-3,-3)?6,-3\,!3,?6,$(-4,-3,-3,-3)?6, + -3\,?6,-3=?6,-3\,!3,60,^^-30,?6,-3=?6, + -3\^30,^^30,?6,$(-3,-3)?6,-3=?7,$(-4,-3,-3)?6, + -2\,?6,-3=?6,-3=?7,$(-3,-3)?6,-3=?8,-3=dl,$(-5,-3,-3,-3)?6, @(5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99, 100,107,113,114,122,123,130,131,140,141,148,149)O, @(1^60,2,26,28,29,51,54,61,63,68,75^60,78,109)*/OH, @@ -176,9 +176,9 @@ endfont; @(9,18,85,93,112,139,143,147)*/Me`1^60, @(80,88,97,115,120,124)/*Me`1^-60,108:*/Me`1^-60, @(36~zf^-45>30)/'(O,!,SOO,!,"O{Na}"), - #6\,!11,60~dr,-60,60,OH,2:/*OH,@(7,10)*/OH,@(1,3)*/Me,@(8~zf,11~dm,12)/Me, + #6\,|,!11,60~dr,-60,60,OH,2:/*OH,@(7,10)*/OH,@(1,3)*/Me,@(8~zf,11~dm,12)/Me, @(6>30)/'(O,!,SOO,!,"O{Na}"), - #150\,!7,@(1,2)/*OH,4:*/Me,5:/*Me,7=dl + #150\,|,!7,@(1,2)/*OH,4:*/Me,5:/*Me,7=dl ) endfont \end{mplibcode} diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index 2bc472f6efd..114c0881621 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 3.63 Copyright (c) 2013-2015 Akira Yamaji +% mcf2graph ver 3.70 Copyright (c) 2013-2015 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, @@ -30,14 +30,14 @@ % Set output checklist : mpost -s ahlength=2 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% tracingstats:=1; -message " This is mcf2graph ver 3.6 2015.9 "; +message " This is mcf2graph ver 3.7 2015.9 "; newinternal com,par,cntA,cntB,adrS,adrA,adrB,dx,nX,i,u,j,k,v,xp,yp,nA,nB; %------------------------------------------------------------------------------------------------- pair posB[],posA[],pairT,Ls,Le,pairA; numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA[],stkB[], stkA[],stkL[],stkM[],strW[],lineB[],lenB[],ps_com[],ps_adr[],ps_len[],ps_rot[], ps_env[],comMC[][],parMC[][],stock_p[],cntMC[],colorA[],colorB[],tblN[],tblB[][], - wtA[],sumA[],CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],?[],??[],![],!![],Ph[],ph[]; + wtA[],sumA[],CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],??[],?[],|?[],![],!![],Ph[],ph[]; path pA,pB,pC,pT; string info[],tblA[],com_str[],calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str; picture atom_font[],chem_structure,temp_picture; @@ -69,7 +69,7 @@ else: f_MP:=0; clearit; chem_structure:=currentpicture; %------------------------------------------------------------------------------------------------- let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =; -?3:=?20:=??3:=??20:=Ph:=Ph1:=Ph2:=ph:=ph1:=ph2:=hz:=0; vt:=1; +??3:=??20:=?3:=?20:=Ph:=Ph1:=Ph2:=ph:=ph1:=ph2:=hz:=0; vt:=1; first_def_number:=500; user_def_number:=2500; ab_def_number:=3000; unit_e:=1/2048; margin_left_right:=margin_top_bottom:=0.4mm; ratio_chain_ring:= 0.66; ratio_atom_bond:=0.36; ratio_thickness_bond:=0.015; offset_atom#:=0.8pt#; max_bond_width:=0.25; @@ -177,7 +177,7 @@ enddef; %------------------------------------------------------------------------------------------------- vardef '(text s)= ''(incr mc_num)(s); mc_num enddef; def set_def_MC= - save /,*,//,/*,*/,**,~,^,`,{,},<,>,&,:,=,\,\\,*\,\*,@,$,#,##,d,w,z,inside_def_MC; + save /,*,//,/*,*/,**,~,^,`,{,},<,>,&,:,=,\,\\,*\,\*,@,$,#,##,|,d,w,z,inside_def_MC; inside_def_MC:=1; d:=dl; w:=wf; z:=zf; vardef $(text a)tertiary b == $$(a)(b) enddef; vardef @(text a)tertiary b == @@(a)(b) enddef; vardef #primary n == n MUL unit_e enddef; vardef ##primary n == -n MUL unit_e enddef; @@ -188,7 +188,7 @@ def set_def_MC= def * == (0,1) enddef; def \ == *,0 enddef; def \\ == *,0~dm enddef; def *\ == (0,1),0~wf enddef; def \* == (0,1),0~zf enddef; def { == (_push,1) enddef; def } == (_pop,1) enddef; - def {{ == (_push,0) enddef; def }} == (_pop,0) enddef; + def {{ == (_push,0) enddef; def }} == (_pop,0) enddef; def | == {,} enddef; def >>primary n == (_chg_env,n) enddef; def ``primary n == (_chg_len,n) enddef; def ^^primary n == (_rot_ang,n) enddef; def ~~primary n == (_chg_line,n) enddef; def /secondary n == (_postA,n) enddef; def //secondary n == (_postB,n) enddef; @@ -230,8 +230,8 @@ def $$(text t)(expr e) = begingroup save cntBS; cntBS:=0; ab_num:=ab_num+1; if known e:: if numeric e:: if (e>=si)and(e<=nl):: if e==dl:: for list==t:: PB(_dl,list) endfor else:: for list==t:: PB(_set_adr,list) PB(_set_line,e) endfor fi - elseif (e>=?3)and(e<=?20):: for list==t:: !?(list)(e-?3+3)(1) endfor - elseif (e>=??3)and(e<=??20):: for list==t:: !?(list)(e-??3+3)(0) endfor + elseif (e>=??3)and(e<=??20):: for list==t:: !?(list)(e-??3+3)(1) endfor + elseif (e>=?3)and(e<=?20):: for list==t:: !?(list)(e-?3+3)(0) endfor elseif e==Ph1:: !?(t)(6)(1) PB(_dl,-2) PB(_dl,-4) elseif e==Ph2:: !?(t)(6)(1) PB(_dl,-1) PB(_dl,-3) PB(_dl,-5) elseif e==ph1:: !?(t)(6)(0) PB(_dl,-2) PB(_dl,-4) @@ -337,7 +337,7 @@ enddef; %------------------------------------------------------------------------------------------------ def proc_bond_atom(expr n)= f_bra:=f_end:=f_term:=rotT:=adrS:=f_lineT:=f_rotT:=f_lenT:=f_envT:=envT:=env:=0; - stkL[0]:=bondL:=crR; lenT:=crR; stkA[1]:=stkB[1]:=1; + stkL[0]:=bondL:=crR; lenT:=crR; for i=1 upto 5: stkA[i]:=stkB[i]:=0; endfor for i=n upto cntMC[0]: com:= comMC[0][i]; par:=parMC[0][i]; if com=_push: if par=1: stkL[adrS]:=bondL; stkA[incr adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB; @@ -397,8 +397,8 @@ def add_atom= enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def proc_skeleton= - stkA[1]:=stkB[1]:=1; envT:=env:=f_lineT:=f_rotT:=f_lenT:=f_envT:=0; - adrA:=adrB:=cntA:=cntB:=angT:=adrS:=f_end:=f_bra:=rotT:=f_term:=0; + envT:=env:=f_lineT:=f_rotT:=f_lenT:=f_envT:=0; for i=1 upto 5: stkA[i]:=stkB[i]:=0; endfor + adrA:=adrB:=cntA:=cntB:=angT:=adrS:=f_end:=f_bra:=rotT:=f_term:=0; for i=1 upto cntMC[0]: com:=comMC[0][i]; par:=parMC[0][i]; if com=_push: if par=1: stkM[adrS]:=env; adrS:=adrS+1; stkA[adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB; @@ -553,16 +553,16 @@ mc_num:=first_def_number; lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr); def ring expr n=^^((-180 DIV n)-90),(_chg_len,0), for i==2 upto n:: ,(360 DIV n) endfor,(_cyc_sB,1-n) enddef; -for i=3 upto 20: ??[i]:='({{,ring i,}}); endfor -for i=3 upto 20: ?[i]:='({,ring i,}); endfor -Ph:=Ph1:='( ?6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='( ?6,(_dl,-1),(_dl,-3),(_dl,-5)); -ph:=ph1:='(??6,(_dl,-2),(_dl,-4),(_dl,-6)); ph2:='(??6,(_dl,-1),(_dl,-3),(_dl,-5)); +for i=3 upto 20: ?[i]:='({{,ring i,}}); endfor +for i=3 upto 20: ??[i]:='({,ring i,}); endfor +Ph:=Ph1:='(??6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='(??6,(_dl,-1),(_dl,-3),(_dl,-5)); +ph:=ph1:='(?6, (_dl,-2),(_dl,-4),(_dl,-6)); ph2:='(?6, (_dl,-1),(_dl,-3),(_dl,-5)); !:='((_mk_bond,_arg_ang)); !0:='(^^180,180); -for i=1 upto 20: !![i]:='(! for j==2 upto i::,! endfor); endfor -for i=1 upto 20: ![i]:='({,(_get_len,0),!![i],}); endfor -!!:=!!1; Me:='(); Et:=!; Pr:='(!,!); Bu:='(!,!,!); -for i=4,5,6: for j=2 upto i-2: ?[i][j]:='((_fuse,i),(j,1)); endfor endfor -for i=4,5,6: for j=2 upto i-2: ??[i][j]:='((_fuse,i),(j,0)); endfor endfor +for i=1 upto 20: ![i]:='({{,(_get_len,0),! for j==2 upto i::,! endfor,}}); endfor +for i=1 upto 20: !![i]:='({, (_get_len,0),! for j==2 upto i::,! endfor,}); endfor +Me:='(); Et:=!; Pr:='(!,!); Bu:='(!,!,!); +for i=4,5,6: for j=2 upto i-2: ??[i][j]:='((_fuse,i),(j,1)); endfor endfor +for i=4,5,6: for j=2 upto i-2: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor %------------------------------------------------------------------------------------------------- H :='("H");C:='("C");N:='("N");O:='("O");F:='("F");S:='("S");P:='("P");I:='("I"); Si:='("{Si}");Al:='("{Al}");Mg:='("{Mg}");Zn:='("{Zn}");As:='("{As}");Cu:='("{Cu}"); |