diff options
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 3 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 31 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 259727 -> 259821 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 | 2 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 320475 -> 320461 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 6 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 120512 -> 127799 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 21 | ||||
-rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 27 |
10 files changed, 49 insertions, 45 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 43c8eec5d55..e9f80e27721 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 : 3.72 2015-09-22 + version : 3.73 2015-09-25 E-mail : akira.yamaji5@gmail.com Located at : http://mirror.ctan.org/pkg/graphics/mcf2graph Home page : http://molecoding.cocolog-nifty.com/blog/ @@ -121,3 +121,4 @@ ver. 3.70 / 2015-09-16 add new command | ,change syntax of !,!!,?,?? ver. 3.71 / 2015-09-18 delete command !!,?? ver. 3.72 / 2015-09-22 change command ^^ to < and delete ^^ + ver. 3.73 / 2015-09-25 '&#n' can use as '&(#n)' 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 33cd18a7067..1f43d85466b 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 2015.9.22 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2015.9.25 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------- @@ -31,7 +31,7 @@ beginfont("EN:Ethofenprox") endfont %*************************************************************************** beginfont("EN:Thiamethoxam") - MCf(<30,?6,@(4,6)N,2:O,6:/Me,5\\,!,NO2,4\,!,|,?5,$(1,3)d,3:N,5:S,4:/Cl) + MCf(<30,?6,@(4,6)N,2:O,6:/Me,5\\,!,NO2,4\,!,|,?5,$(1,3)dl,3:N,5:S,4:/Cl) endfont %*************************************************************************** beginfont("EN:Tebufenozide") @@ -72,8 +72,8 @@ beginfont("EN:Etridiazole") endfont %*************************************************************************** beginfont("EN:Oxine-Copper") - MCf(Ph,4:N,5=Ph,-4\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,4:N, - #4*,&(#12)~vf,#23*,&(#12)~vf) + MCf(Ph,4:N,5=Ph,-4\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N, + #4*,~vf,#23*,~vf) endfont %*************************************************************************** beginfont("EN:Captan") @@ -188,7 +188,7 @@ beginfont("EN:Rifampicin") 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), + 60,/*Me^30,-53,/*OMe,66,-53~dl,66`1.2,O,},, #11\,!~dr,N,!,|,?6,@(1,4)N,4:/Me) endfont %*************************************************************************** @@ -222,8 +222,8 @@ 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*,24,/*COOMe^15,72,//O,&(#1),}, + -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,, + -1*,24,/*COOMe^15,72,//O,,}, @(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) @@ -248,8 +248,8 @@ beginfont("EN:Lycorine") endfont %******************************************************************************* beginfont("EN:Tetrodotoxine") - MCf({,``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)~ov,#8*,-15~ov,O,&(#12),},#9*,45,-60,OH,1^120://NH, + MCf({,``1,<60,-90,60,-30`1.15,150,60,,#3*,-135,60,-30`1.15,150,, + #10\,O,60`1.33,60,~ov,#8*,-15~ov,O,,},#9*,45,-60,OH,1^120://NH, @(5~zf^-15,7,9^-75,12,13~zf)/OH,@(2,6^180)NH) endfont %*************************************************************************** @@ -268,8 +268,7 @@ beginfont("EN:Qercetin") endfont %*************************************************************************** beginfont("EN:Limonin") - MCf(<30, - ?6,$(-3,-4)?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, + MCf(<30,?6,$(-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^60,18^35,18^-35)/Me,@(1^60,5^180,16^60)/*H, 14\*,|,?5,$(1,4)dl,3:O) @@ -366,8 +365,7 @@ MCf(<30,{,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1, endfont; %************************************************************************** beginfont("EN:Paclitaxel") - MCf(<0, - {,?6,5=d,3*,{,``1,36,45,45,45,45,},&(#5),#9=?6,-4=?4,},-1=wb,-3=wf,-1:O, + MCf({,?6,5=d,3*,{,``1,36,45,45,45,45,},,#9=?6,-4=?4,},-1=wb,-3=wf,-1:O, @(4^35,4^-35,6)/Me,@(3^-60,15)*/OH,8:/*H^-60,9:*/Me^60,10://O, #1\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, #7\*,O,-45,//O,60,Ph, @@ -410,3 +408,10 @@ beginfont("EN:Atoropin") endfont %*************************************************************************** bye +******** +bye +********* +bye + + +bye 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 f15f560006a..d411d5b14f9 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 15330417346..48ae3966370 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 2015.9.22 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2015.9.25 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \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 2015.9.22} \vspace{5mm}\\ +{\footnotesize\bf by Akira Yamaji 2015.9.25} \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 1c11e5806b6..33e15e61828 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 2015.9.18 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2015.9.25 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %----------------------------------------------------------------------- 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 d8c64226e4c..b7a191892de 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 46013f01487..40bc145445c 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 2015.9.22 +% Molecular Coding Format manual by Akira Yamaji 2015.9.25 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \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 2015.9.22} + by Akira Yamaji 2015.9.25} \end{picture}\vspace{-4.2mm}\\ %---------------------------------------------------------------------------- \begin{minipage}[t][38mm]{100mm} @@ -106,7 +106,7 @@ six membered ring \begin{minipage}[t][38mm]{100mm} \MCFtitle{Change bond type (2)} \begin{verbatim} - Bn=bond type : $(Bn)bond type (change bond type at Bn) + Bn=bond type : change bond type at Bn vf:vector forward, vb:vector backward, tm:triple, wv:waved, bd:broad single, ov:over line diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex e82c70f5b23..1f64588194b 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex index 2aa66fd5d35..18b61382556 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2015.9.22 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2015.9.25 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass{article} %------------------------------------------------------------------------------- @@ -60,8 +60,8 @@ \unitlength=1mm %------------------------------------------------------------------------------------ \begin{document} -{\Large\bf MCF example for luamplib(LuaLaTeX) }% - \hspace{10mm} by Akira Yamaji 2015.9.22\vspace{6mm}\\ +{\Large\bf MCF example for luamplib(Lua\LaTeX) }% + \hspace{10mm} by Akira Yamaji 2015.9.25\vspace{6mm}\\ %------------------------------------------------------------------------------------ {{\small {\tt FM(C) :} molecular formula calculated by mcf2graph}\\ {{\small {\tt MW(C) :} molecular weight calculated by mcf2graph}\\ @@ -71,8 +71,8 @@ beginfont("NO:1","EN:Chlorophyll a","MW:893.49") MCf(<54, {,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N, - -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&(#5), - -1*,24,/*COOMe^15,72,//O,&(#1),}, + -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,, + -1*,24,/*COOMe^15,72,//O,,}, 4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, 21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me, @@ -143,9 +143,9 @@ font_wd:=90mm; font_ht:=55mm; beginfont("NO:6","EN:Vancomycin","MW:1449.25"); MCf(<30, {,``1,!12,$(1,3,12)zf,7=wf,/H^-60,60,*/OH,60, - Ph,-4:/Cl,-3\,O,!,Ph,-4\,O,!,Ph,-1^15:/Cl,-3\,/*OH,*/H^-60,&(#1), - #7*,&(#26),#1\^120,//O,60,NH,60,/*H,*/COOH^180,-60, - Ph,@(-2,-4)/OH,-1\,Ph,-5:/OH,-2*,&(#4),}, + Ph,-4:/Cl,-3\,O,!,Ph,-4\,O,!,Ph,-1^15:/Cl,-3\,/*OH,*/H^-60,, + #7*,,#1\^120,//O,60,NH,60,/*H,*/COOH^180,-60, + Ph,@(-2,-4)/OH,-1\,Ph,-5:/OH,-2*,,}, @(3^40,6,9,12)//O,@(2,5,8,11)NH, @(1^180,4^180)*/H,@(7^-60,10^60,14^60)/*H, #10*\^-60,60,//O,!,NH2, @@ -161,8 +161,7 @@ endfont; \begin{mplibcode} 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, + 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, @@ -177,7 +176,7 @@ endfont; @(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>30)/'(O,!,SOO,!,"O{Na}"), + 6\,O,30,SOO,30,"O{Na}", #150\,|,!7,@(1,2)/*OH,4:*/Me,5:/*Me,7=dl ) endfont diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index 3c147f29048..2ecd92f90c3 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 3.72 Copyright (c) 2013-2015 Akira Yamaji +% mcf2graph ver 3.73 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, @@ -43,10 +43,9 @@ string info[],tblA[],com_str[],calc_formula,mp_log_name,mol_name,mol_formula,ca picture atom_font[],chem_structure,temp_picture; %------------------------------------------------------------------------------------------------- sw_numberA:=sw_numberB:=sw_mol_frame:=sw_logout:=sw_solid:=sw_expand:=sw_start_vector:=0; -sw_font_frame:=sw_atom_frame:=sw_checklist:=sw_MOLfile:=0; +char_num:=str_cnt:=proc_end:=sw_font_frame:=sw_atom_frame:=sw_checklist:=sw_MOLfile:=0; sw_info_file:=sw_info_char:=1; sw_info_lenx:=sw_info_leny:=sw_info_weight:=sw_info_formula:=0; -char_num:=str_cnt:=proc_end:=0; -numberA_start:=1; numberA_end:=4095; numberB_start:=1; numberB_end:=4095; +numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; if known green: f_MP:=1; mp_log_name:=jobname&"-info.aux"; if ahlength=1: proc_end:=1; fi % first molecular only @@ -177,22 +176,22 @@ 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 == $$(a)(b) enddef; vardef @(text a)tertiary b == @@(a)(b) enddef; - vardef #primary n == n MUL unit_e enddef; vardef ##primary n == -n MUL unit_e enddef; + vardef $(text a)tertiary b == $$(a)(b) enddef; tertiarydef a=b == $$(a)(b) enddef; + vardef @(text a)tertiary b == @@(a)(b) enddef; tertiarydef a:b == @@(a)(b) enddef; + vardef #primary n == n MUL unit_e enddef; + def &primary n ==(_cyc,n) enddef; def &# == & # enddef; tertiarydef a^b == (_tmp_rot,b),a enddef; tertiarydef a`b == (_tmp_len,b),a enddef; tertiarydef a>b == (_tmp_env,b),a enddef; tertiarydef a~b == (_tmp_line,b),a enddef; - tertiarydef a=b == $$(a)(b) enddef; tertiarydef a:b == @@(a)(b) enddef; - def &primary n ==(_cyc,n) enddef; def /primary n ==(_postA,n) enddef; 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 | == {,} 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; - def */secondary n == (_postC,n) enddef; def /*secondary n == (_postD,n) enddef; + def <primary n == (_rot_ang,n) enddef; + def /secondary n == (_postA,n) enddef; def //secondary n == (_postB,n) enddef; + def */secondary n == (_postC,n) enddef; def /*secondary n == (_postD,n) enddef; def **secondary n == (_postE,n) enddef; def */*secondary n == (_postF,n) enddef; enddef; %------------------------------------------------------------------------------------------------- @@ -556,7 +555,7 @@ 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)); !:='((_mk_bond,_arg_ang)); !0:='(<180,180); for i=1 upto 20: ![i]:='({{,(_get_len,0),! for j==2 upto i::,! endfor,}}); endfor -Me:='(); Et:=!; Pr:='(!,!); Bu:='(!,!,!); +Me:='(); Et:=!; Pr:='(!2); Bu:='(!3); 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"); @@ -805,4 +804,4 @@ def MOL_out= printf fdr(3)(sB[i])&fdr(3)(eB[i])&fdr(3)(nA)&fdr(3)(nB)&" 0 0"; fi endfor printf "M END"; enddef; -%------------------------------------------------------------------------------------------------ +%--------------------------------------------------------------------------------------- |