From 664ac603ac89d9dcd374f9905a667d26692d1da9 Mon Sep 17 00:00:00 2001 From: Karl Berry Date: Thu, 9 Jul 2020 22:32:46 +0000 Subject: mcf2graph (10jul20) git-svn-id: svn://tug.org/texlive/trunk@55793 c570f23f-e606-0410-a88d-b1316a301751 --- Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 11 +- Master/texmf-dist/doc/metapost/mcf2graph/README | 2 +- .../doc/metapost/mcf2graph/mcf_exa_soc.mf | 281 +++++++++++++-------- .../doc/metapost/mcf2graph/mcf_example.pdf | Bin 265490 -> 289548 bytes .../doc/metapost/mcf2graph/mcf_man_soc.mf | 229 ++++++++--------- .../doc/metapost/mcf2graph/mcf_manual.pdf | Bin 579921 -> 565886 bytes .../doc/metapost/mcf2graph/mcf_manual.tex | 179 +++++++------ .../doc/metapost/mcf2graph/mcf_mplib_exa.pdf | Bin 139840 -> 139843 bytes .../doc/metapost/mcf2graph/mcf_mplib_exa.tex | 54 ++-- Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 64 ++--- 10 files changed, 452 insertions(+), 368 deletions(-) diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 8b1de56bb8e..bd4cf1eda84 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,15 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2020-01-26 + Changelog of mcf2graph software package by Akira Yamaji 2020-07-09 ******************************************************************************* +[ver. 4.49 / 2020-07-09] + -improve command !,!n + -delete command !0 + -improve function ext() + -add command + ext_clear: reset global ext() + -fix bug in environment setting + -update MCF manual,example + [ver. 4.48 / 2020-01-26] -add command a@#b : a:@,b:# -update MCF manual diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index ad8fb31e05f..bd6f08d8320 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 : 4.48 2020-01-26 + version : 4.49 2020-07-09 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** 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 6cf6e32e8b5..f8e99dbbb45 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2020.01.26 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2020.07.09 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.48 or later +input mcf2graph.mf; %%% it must be version 4.49 or later %------------------------------------------------------------------------- fsize:=(33mm,24mm); max_blength:=4.5mm; @@ -33,10 +33,6 @@ var4:="cal_MW"; tag4:="cMW"; %%%% 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 ); %*************************************************************************** -beginfont("EN:Acetamiprid","MW:222.676") - MC(<30,Ph,2:N,1:/Cl,4:\,!,N,/_,!,/_,!!,N,!,CN) -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 @@ -45,16 +41,8 @@ beginfont("EN:Thiamethoxam","MW:291.71") MC(<30,?6,{4,6}:N,2:O,6:/_,5:\\,N,!,NO2,4:\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl) endfont %*************************************************************************** -beginfont("EN:Tebufenozide","MW:352.478") - MC(<30,Ph,6:/!,3:\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,{3,5}:/_) -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:Fenitrothion","MW:277.231") - MC(<30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,4:/NO2) + 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") @@ -62,20 +50,8 @@ beginfont("EN:Permethrin","MW:391.288") 3:\,//O,!,O,!2,|,Ph,3:\,O,-60,Ph) endfont %*************************************************************************** -beginfont("EN:Bensultap","MW:431.598") - MC(<30,Ph,4:\,SOO,!,S,!2,N,/iPr,!2,S,!,SOO,!,Ph) -endfont -%*************************************************************************** -beginfont("EN:Azoxystorbin","MW:403.394") - MC(<30,Ph,2:/CN,3:\,O,!,|,Ph,{4,6}:N,3:\,O,!,|,Ph,2:\,/COO!,!!,!,O,!) -endfont -%*************************************************************************** beginfont("EN:Isoprothiolane","MW:290.392") - MC(<30,!,/_,!,O,!,//O,|,!2,//O,!,O,!,/_,!,2:\\,|,?5,{2,5}:S) -endfont -%*************************************************************************** -beginfont("EN:Etridiazole","MW:247.518") - MC(<18,?5,{1,3}=dl,{2,4}:N,5:S,1:/O!2,3:/CCl3) + MC(<-30,!,/_,!,O,!,//O,|,!2,//O,!,O,!,/_,!,2:\\,|,?5,{2,5}:S) endfont %*************************************************************************** beginfont("EN:Oxine-Copper","MW:351.852") @@ -83,14 +59,6 @@ beginfont("EN:Oxine-Copper","MW:351.852") ||,4:@,12~vf:#,23:@,12~vf:#) endfont %*************************************************************************** -beginfont("EN:Captan","MW:300.578") - MC(<12,?6,6=dl,3=?5,8:N,{7,9}://O,8:\,S,!,CCl3) -endfont -%*************************************************************************** -beginfont("EN:Chlorothalonil","MW:265.902") - MC(<30,Ph,{1,2,4,6}:/Cl,{3,5}:/CN) -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, @@ -102,114 +70,225 @@ beginfont("EN:Endosulfan","MW:406.904"); {8,9,10,11,12^-210,12^-150}:/Cl) endfont; %*************************************************************************** -beginfont("EN:Flutolanil","MW:323.315") - MC(<30,Ph,2:/CF3,3:\,//O,!,NH,!,|,Ph,6:/OiPr) +beginfont("EN:Oxadiargyl","MW:341.19") + MC(<30,Ph,{1,3}:/Cl,4:\,|,?5,2=d,{1,2}:N,4:O,5://O,-3:/tBu,$6:\,O,!2,!!!) endfont %*************************************************************************** -beginfont("EN:Propiconazole","MW:342.22") - MC(<-6,?5,{2,5}=dl,{1,3,4}:N, - 4:\,!2,Ph,{-1,-3}:/Cl,7:@,|,?5,{1,4}:O,3:/!2^24) +beginfont("EN:Oxaziclomefone","MW:376.277") + MC(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,4:\,/_^35,/_^-35,!,|,Ph,{3,5}:/Cl) endfont %*************************************************************************** -beginfont("EN:Pencycuron","MW:328.84") - MC(<30,Ph,6:/Cl,3:\,!,N,/?5,!,//O,!,NH,!,Ph) +beginfont("EN:Amoxicillin","MW:365.4042") + MC(<45,?4,-3=?5,2:N,7:S, + 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 4:*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH) endfont %*************************************************************************** -beginfont("EN:Asulam","MW:230.238") - MC(<30,Ph,6:/NH2,3:\,SOO,!,NH,!,//O,!,O,!) +beginfont("EN:Ampicillin","MW:349.405") + MC(<45,?4,-3=?5,2:N,7:S, + 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 4:*\^15,NH,!,//O,!,/*NH2,!,Ph) endfont %*************************************************************************** -beginfont("EN:Oxadiargyl","MW:341.19") - MC(<30,Ph,{1,3}:/Cl,4:\,|,?5,2=d,{1,2}:N,4:O,5://O,-3:/tBu,$6:\,O,!2,!!!) +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,{6^35,6^-35}:/_, + 4:*\^15,NH,!,//O,!,!,Ph) endfont %*************************************************************************** -beginfont("EN:Oxaziclomefone","MW:376.277") - MC(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,4:\,/_^35,/_^-35,!,|,Ph,{3,5}:/Cl) +beginfont("EN:Mecillinam","MW:325.4264") + MC(<45,?4,-3=?5,2:N,7:S, + 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 4:*\^15,N,!!,!,?7,-7:N) endfont %*************************************************************************** -beginfont("EN:Cafenstrole","MW:350.437") - MC(<30,Ph,{2,4,6}:/_,3:\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,4:\,//O,!,N,/!,!2) +beginfont("EN:Nafcillin","MW:414.4748") + MC(<45,?4,-3=?5,2:N,7:S, + 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 4:*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2) endfont %*************************************************************************** -beginfont("EN:Cyclosulfamuron","MW:421.428") - MC(<30, - Ph,5:\,//O,!,?3,4:\,NH,!,SOO,!,NH,!,//O,!,NH,!,|,Ph,{2,6}:N,{3,5}:/O!) +beginfont("EN:Oxacillin","MW:401.4363") + MC(<45,?4,-3=?5,2:N,7:S, + 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 4:*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, + -1:\^-24,Ph) endfont %*************************************************************************** -beginfont("EN:Napropamide","MW:271.36") - MC(<-30,Ph,3=Ph,10:\,O,!,/_^35,/_^-35,!,//O,!,N,/!,!) +beginfont("EN:Cloxacillin","MW:435.8813") + MC(<45,?4,-3=?5,2:N,7:S, + 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 4:*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, + -1:\^-24,Ph,-5:/Cl) endfont %*************************************************************************** -beginfont("EN:Pyributicarb","MW:330.446") - MC(<30,Ph,5:/tBu,3:\,O,!,//S,!,N,/_,!,|,Ph,2:N,3:/O!) +beginfont("EN:Dicloxacillin","MW:470.3264") + MC(<45,?4,-3=?5,2:N,7:S, + 3^45:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, + 4:*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, + -1:\^-24,Ph,{-1,-5}:/Cl) endfont %*************************************************************************** -beginfont("EN:Propyzamide","MW:256.126") - MC(<30,Ph,{1,5}:/Cl,3:\,//O,!,NH,!,/_^35,/_^-35,!,!!!) +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:Pendimethalin","MW:281.312") - MC(<30,Ph,{1,2}:/_,{3,5}:/NO2,4:\,NH,!,/!,!2) +beginfont("EN:Cefalonium","MW:458.5107") + 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,{-1,-3}=dl,-4:S, + 6:\,!,|,Ph,1:N,4:\,//O,!,NH2) endfont %*************************************************************************** -beginfont("EN:Benfluralin","MW:335.283") - MC(<30,Ph,{1,3}:/NO2,5:/CF3,2:\,N,/!,!4) +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:Trinexapac-ethyl","MW:252.266") - MC(<30,?6,{2,4}://O,6:/COO!2,3:\\,/OH,!,?3) +beginfont("EN:Cefquinome","MW:627.6903") + 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,-5}=dl,-3:S,-1:N,-2:/NH2,-6:\\,N,-60,O,!, + 6:\,!,Ph,-2=?6,-10:N) endfont %*************************************************************************** -beginfont("EN:Buprofezin","MW:305.44") - MC(<-30,?6,{1,5}:N,3:S,6://O,5:/iPr,4:\\,N,!,tBu,1:/Ph) +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,!2,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,-6:\\,N,-60,O,!, + 6:\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O) endfont %*************************************************************************** -beginfont("EN:Tricyclazole","MW:189.236") - MC(<30,Ph,2:/_,|,-4=?5,1:N,3:S,|,-3=?5,{2,4}=dl,{2,3}:N) +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,!2,?5,{-1,-3}=dl,-4:O,-6:\\,N,-60,O,!, + 6:\,!,O,!,//O,!,NH2) endfont %*************************************************************************** -beginfont("EN:Phthalide","MW:271.91") - MC(<30,Ph,{1,2,5,6}:/Cl,|,-4=?5,2:O,3://O) +beginfont("EN:Apramycin","MW:539.58") + MC(<30,?6,-4=?6,{2,10}:O, + 1:\*,O,60~zb,?6, + 9:\*,O,-60~zb,?6,-5:O, + {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:Probenazole","MW:223.246") - MC(<12,Ph,|,-4=?5,-2=dl,1:S,{1^35,1^-35}://O,2:N,3:\,O,!2,!!) +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:Simetryn","MW:213.303") - MC(<30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!2) +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: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,{1,4}:N,4:/_) +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, + 2:*\,O,24~zb,?6, + {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!, + 17:*\^-18,NH,!,//NH,!,NH2, + 19:*\,NH,!,//NH,!,NH2) endfont %*************************************************************************** -beginfont("EN:Wortmannin","MW:428.43") - MC(<30,?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}:*/_^60,11:/*H^-60, - $5:\*,60,O,!,$14:\*^-25,//O,!,O,!) +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:Ampicillin","MW:349.405") - MC(<45,?4,-3=?5,2:N,7:S, - {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_, - ,4:*\^75,NH,!,//O,!,/*NH2,!,Ph) +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, + -6:\*,O,!~wb,?6`.7,-5:O,-3:/*NMe!,-4:*/_, + 7:\*,O,0~wb,?6`.7,-5:O,-2:*/NMe!,-1:/*OH,-4:*/_,-3:/*OH, + 8:\*,!,!!,O) endfont %*************************************************************************** -beginfont("EN:Validamycin","MW:497.494") - MC(<30,?6,{5,6}:/OH,3:/!OH>vt, - $4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH, - $1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH) +beginfont("EN:Streptmycin","MW:581.574") + MC(<54,?5,3:O,4:/*_,5:/OH^35, + 1:\*,O,-24~wb,?6,-5:O, + 2:*\,O,24~zb,?6, + 5:\^-48,!!,O,{10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!, + 17:*\^-18,NH,!,//NH,!,NH2, + 19:*\,NH,!,//NH,!,NH2) endfont -%************************************************************************** -beginfont("EN:Oceltamivir","MW:312.41") - MC(<30,?6,3=d,1:/NH2,3:/COO!2,6:/NHCO!,5:\*,O,!,/!,!2) +%*************************************************************************** +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:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt, + -6:\*,O,!~wb,?6`.7,-5:O,-3:/*NMe!,-4:*/_, + 7:\*,O,0~wb,?6`.7,-5:O,-2:*/NMe!,-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: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:*/NMe!,-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:*/NMe!,{-1,-3}:/*OH,-4:*/_, + 8:\*,!2,?6`.7,-6:N,{-2,-4}:*/_) +endfont +%*************************************************************************** +beginfont("EN:Chlortracyclin","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:*/NMe!,17:\,//O,!,NH2 + ) +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:*/NMe!,17:\,//O,!,NH2 + ) +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:*/NMe!,17:\,//O,!,NH2 + ) +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:*/NMe!,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,/!,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,{1,4}:N,4:/_) endfont %*************************************************************************** beginfont("EN:Luciferin","MW:280.33") @@ -393,8 +472,8 @@ beginfont("EN:Quinine","MW:324.424") endfont %*************************************************************************** beginfont("EN:Atoropin","MW:289.375") - MC(<-30,O,!,//O,!,!,Ph, - $1:\~zb^-120,|,?7`1.1,6:*\^190`1.25,N,/_,3~wb:#,$3:/!OH~wv) + MC(<30,O,!,//O,!,!,Ph, + $1:\~zb^-60,|,?7`1.1,6:*\^190`1.25,N,/_,3~wb:#,$3:/!OH~wv) 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 51804c4cdc2..dc9a638cc87 100644 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf differ 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 a28d1df0afe..b13b6cc12ba 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2020.01.26 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2020.07.09 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.48 or later +input mcf2graph.mf; %% it must be version 4.49 or later %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; @@ -14,51 +14,51 @@ blength:=6mm; %ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) %*********************************************************************** beginfont("EN:Glycine") - MC(<30,NH2,!0,!,COOH) + MC(<30,NH2,!2,COOH) endfont %*********************************************************************** beginfont("EN:Alanine") - MC(<30,NH2,!0,/_,!,COOH) + MC(<30,NH2,!,/_,!,COOH) endfont %*********************************************************************** beginfont("EN:Valine") - MC(<30,NH2,!0,/iPr,!,COOH) + MC(<30,NH2,!,/iPr,!,COOH) endfont %*********************************************************************** beginfont("EN:Leucine") - MC(<30,NH2,!0,!,COOH,2:\,!,/_,!) + MC(<30,NH2,!2,COOH,2:\,!,/_,!) endfont %*********************************************************************** beginfont("EN:Isoleucine") - MC(<30,NH2,!0,!,COOH,2:\,/_,!2) + MC(<30,NH2,!2,COOH,2:\,/_,!2) endfont %*********************************************************************** beginfont("EN:Serine") - MC(<30,NH2,!0,!,COOH,2:/!OH) + MC(<30,NH2,!2,COOH,2:/!OH) endfont %*********************************************************************** beginfont("EN:Threonine") - MC(<30,NH2,!0,!,COOH,2:\,/_,!,OH) + MC(<30,NH2,!2,COOH,2:\,/_,!,OH) endfont %*********************************************************************** beginfont("EN:Cysteine") - MC(<30,NH2,!0,!,COOH,2:/!SH) + MC(<30,NH2,!2,COOH,2:/!SH) endfont %*********************************************************************** beginfont("EN:Methionine") - MC(<30,NH2,!0,!,COOH,2:\,!2,SMe) + MC(<30,NH2,!2,COOH,2:\,!2,SMe) endfont %*********************************************************************** beginfont("EN:Phenylalanine") - MC(<30,NH2,!0,!,COOH,2:/!Ph) + MC(<30,NH2,!2,COOH,2:/!Ph) endfont %*********************************************************************** beginfont("EN:Tyrosine") - MC(<30,NH2,!0,!,COOH,2:\,!,Ph,-3:/OH) + MC(<30,NH2,!2,COOH,2:\,!,Ph,-3:/OH) endfont %*********************************************************************** beginfont("EN:Triptophan") - MC(<30,NH2,!0,!,COOH,2:\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH) + MC(<30,NH2,!2,COOH,2:\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH) endfont %*********************************************************************** beginfont("EN:Prorine") @@ -66,31 +66,31 @@ beginfont("EN:Prorine") endfont %*********************************************************************** beginfont("EN:Glutamine") - MC(<30,NH2,!0,!,COOH,2:\`1,-45,-45,//O,!,NH2) + MC(<30,NH2,!2,COOH,2:\`1,-45,-45,//O,!,NH2) endfont %*********************************************************************** beginfont("EN:Asparagine") - MC(<30,NH2,!0,!,COOH,2:\,!,//O,!,NH2) + MC(<30,NH2,!2,COOH,2:\,!,//O,!,NH2) endfont %*********************************************************************** beginfont("EN:Aspartic acid") - MC(<30,NH2,!0,/!COOH,!,COOH) + MC(<30,NH2,!,/!COOH,!,COOH) endfont %*********************************************************************** beginfont("EN:Glutamic acid") - MC(<30,NH2,!0,!,COOH,2:\,!2,COOH) + MC(<30,NH2,!2,COOH,2:\,!2,COOH) endfont %*********************************************************************** beginfont("EN:Lysine") - MC(<30,NH2,!0,!,COOH,2:\,!4,NH2) + MC(<30,NH2,!2,COOH,2:\,!4,NH2) endfont %*********************************************************************** beginfont("EN:Arginine") - MC(<30,NH2,!0,!,COOH,2:\,-45,-45,60,NH,!,//NH,!,NH2) + MC(<30,NH2,!2,COOH,2:\,-45,-45,60,NH,!,//NH,!,NH2) endfont %*********************************************************************** beginfont("EN:Hystidine") - MC(<30,NH2,!0,!,COOH,2:\,!,|,?5,{1,3}=dl,3:N,5:NH) + MC(<30,NH2,!2,COOH,2:\,!,|,?5,{1,3}=dl,3:N,5:NH) endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% fsize:=(60mm,35mm); @@ -128,8 +128,8 @@ beginfont("EN:Chain 2") numberB_end:=6; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MC(<30,!6, - {1^-60,2^60,3^-60,4^60,5^-60,6^60}:/_~dt + MC(<-30,!6, + {1^-120,2^60,3^-60,4^60,5^-60,6^60}:/_~dt ) add( defaultscale:=0.5; @@ -150,7 +150,7 @@ beginfont("EN:Jump and Branch") sw_numberA:=1; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MC(<30,!6,3:@,0,!,5:@,-30) + MC(<-30,!6,3:@,0,!,5:@,-30) endfont %*********************************************************************** beginfont("EN:Jump and Branch") @@ -160,7 +160,7 @@ beginfont("EN:Jump and Branch") sw_trimming:=1; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MC(<30,!6,3:\,!) + MC(<-30,!6,3:\,!) endfont %*********************************************************************** beginfont("EN:branch1") @@ -171,7 +171,7 @@ beginfont("EN:branch1") numberA_end:=10; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MC(<-30,!10,2:\,!,4:*\,!,6:\*,!,8:\\,!,10:*\*,!) + MC(<30,!10,2:\,!,4:*\,!,6:\*,!,8:\\,!,10:*\*,!) endfont %*********************************************************************** beginfont("EN:branch2") @@ -182,7 +182,7 @@ beginfont("EN:branch2") numberA_end:=7; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MC(<-30,!6,2:\~dr,!,4:\`1.5,-90,6:@,15,-60) + MC(<30,!6,2:\~dr,!,4:\`1.5,-90,6:@,15,-60) endfont %*********************************************************************** beginfont("EN:Connect atom") @@ -192,7 +192,7 @@ beginfont("EN:Connect atom") sw_numberA:=1; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MC(<30,!6,3:\,!3,6:#~bd,9@#4~bz) + MC(<-30,!6,3:\,!3,6:#~bd,9@#4~bz) endfont %*********************************************************************** beginfont("EN:ring") @@ -227,7 +227,7 @@ beginfont("EN:change bond 1") blength:=8mm; sw_trimming:=1; ratio_chain_ring:=1; - MC(<30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm) + MC(<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm) endfont %*********************************************************************** beginfont("EN:change bond 2") @@ -236,7 +236,7 @@ beginfont("EN:change bond 2") blength:=9.5mm; sw_trimming:=1; ratio_chain_ring:=1; - MC(<30,!~wf,!,!~wb,!,!~zf,!,!~zb) + MC(<-30,!~wf,!,!~wb,!,!~zf,!,!~zb) endfont %*********************************************************************** beginfont("EN:change bond 3") @@ -245,7 +245,7 @@ beginfont("EN:change bond 3") blength:=10mm; sw_trimming:=1; ratio_chain_ring:=1; - MC(<30,!~vf,!,!~vb) + MC(<-30,!~vf,!,!~vb) endfont %*********************************************************************** beginfont("EN:change bond 3") @@ -254,7 +254,7 @@ beginfont("EN:change bond 3") blength:=9mm; sw_trimming:=1; ratio_chain_ring:=1; - MC(<30,!7,1=dt,3=wv,5=bd,7=bz) + MC(<-30,!7,1=dt,3=wv,5=bd,7=bz) endfont %*********************************************************************** beginfont("EN:change bond 4") @@ -270,19 +270,19 @@ beginfont("EN:over line") sw_trimming:=1; fsize:=(60mm,20mm); ratio_chain_ring:=1; - MC(<-30,!8,!,60,90`8,{2~si_,4~wf_,6~wb_,8~bd_}:/_`2) + MC(<30,!8,!,60,90`8,{2~si_,4~wf_,6~wb_,8~bd_}:/_`2) endfont %*********************************************************************** beginfont("EN:change bond length1") fsize:=(60mm,12mm); sw_numberB:=1; - MC(<30,!2,!2`1.2,!2) + MC(<-30,!2,!2`1.2,!2) endfont %*********************************************************************** beginfont("EN:change bond length2") fsize:=(60mm,12mm); sw_numberB:=1; - MC(<30,!2,``1.2,!4) + MC(<-30,!2,``1.2,!4) endfont %*********************************************************************** beginfont("EN:change ring length") @@ -296,14 +296,14 @@ endfont beginfont("EN:Insert atom") sw_trimming:=1; fsize:=(70mm,12mm); - MC(<30,!2,O,!2,N,!2) + MC(<-30,!2,O,!2,N,!2) endfont %*********************************************************************** beginfont("EN:change atom") fsize:=(70mm,10mm); - MCat(0,0.5)(<-30,!4,2:O,{3,4}:N) + MCat(0,0.5)(<30,!4,2:O,{3,4}:N) sw_numberA:=1; - MCat(1,0.5)(<-30,!4,2:O,{3,4}:N) + MCat(1,0.5)(<30,!4,2:O,{3,4}:N) endfont %*********************************************************************** beginfont("EN:change atom brock address 1") @@ -414,19 +414,19 @@ endfont beginfont("EN:group 1") fsize:=(60mm,25mm); sw_trimming:=1; - MC(<30,!,/_,!,/!,!3,/!2,!,/iPr,!3,/tBu,!,/Ph^-30,!) + MC(<-30,!,/_,!,/!,!3,/!2,!,/iPr,!3,/tBu,!,/Ph^-30,!) endfont %*********************************************************************** beginfont("EN:group 2") fsize:=(70mm,15mm); sw_trimming:=1; - MC(<-30,!`1,//O,!2`1,/*H,!2`1,*/H,!2`1,*/*H,!2`1,**?3,!`1) + MC(<30,!`1,//O,!2`1,/*H,!2`1,*/H,!2`1,*/*H,!2`1,**?3,!`1) endfont %*********************************************************************** beginfont("EN:group 3") fsize:=(60mm,18mm); sw_trimming:=1; - MC(<30,``1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!) + MC(<-30,``1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!) endfont %*********************************************************************** beginfont("EN:group 3") @@ -435,7 +435,7 @@ beginfont("EN:group 3") sw_numberA:=1; sw_trimming:=1; numberA_end:=17; - MC(<-30,!16,2:/_,4:/!,6:/!2,10:/iPr,14:/tBu,16:/Ph^-60) + MC(<30,!16,2:/_,4:/!,6:/!2,10:/iPr,14:/tBu,16:/Ph^-60) endfont %*********************************************************************** beginfont("EN:group 4") @@ -443,14 +443,14 @@ beginfont("EN:group 4") sw_trimming:=1; fmargin:=(2mm,2mm); sw_numberA:=1; numberA_end:=7; - MC(<-30,!6`1,{2~wf,4~zf,6^-30}:/_) + MC(<30,!6`1,{2~wf,4~zf,6^-30}:/_) endfont %*********************************************************************** beginfont("EN:group 5") fsize:=(60mm,18mm); sw_trimming:=1; sw_numberA:=1; numberA_end:=8; - MC(<30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl) + MC(<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 1") @@ -468,7 +468,7 @@ beginfont("EN:chain strech direction mode 2") sw_trimming:=1; ratio_chain_ring:=1; MC( - <30,!6,{3^-30,3,3^30}:/'(!,!,!,"{lr}")>lr, + <-30,!6,{3^-30,3,3^30}:/'(!,!,!,"{lr}")>lr, {5^-30,5,5^30}:/'(!,!,!,"{rl}")>rl ) endfont @@ -477,7 +477,7 @@ beginfont("EN:chain strech direction mode 3") fsize:=(60mm,25mm); sw_trimming:=1; ratio_chain_ring:=1; - MC(<-30,!6,{6>45}:/'(!3,"{45}"), + MC(<30,!6,{6>45}:/'(!3,"{45}"), {3>'(90,-90,90)}:/'(!3,"{'(90,-90,90)}") ) endfont @@ -485,7 +485,7 @@ endfont beginfont("EN:change atom and group") fsize:=(60mm,15mm); sw_trimming:=1; - MC(<30,!2,NH,!2,SO,!2,SOO,!) + MC(<-30,!2,NH,!2,SO,!2,SOO,!) endfont %*********************************************************************** beginfont("EN:Change color,font") @@ -505,30 +505,18 @@ beginfont("EN:Make brock") fsize:=(60mm,8mm); sw_trimming:=1; sw_numberB:=1; - MC(<30,!2,|=1.2,!2,=|,!2) + MC(<-30,!2,|=1.2,!2,=|,!2) endfont %*********************************************************************** -beginfont("EN:Chain start multi characters") - fsize:=(60mm,9mm); - sw_trimming:=1; - MC(<30,COOH,!0,!5,COOH) -endfont; -beginfont("EN:not good") - fsize:=(60mm,9mm); - fmargin:=(5mm,2mm); - sw_trimming:=1; - MC(<30,COOH,!6,COOH) -endfont; -%*********************************************************************** beginfont("EN:User definition") - fsize:=(60mm,12mm); + fsize:=(60mm,20mm); sw_trimming:=1; iBuOH:='(!,/_,!,OH); MC(<30,?6,{4,6}:/iBuOH) endfont %*********************************************************************** beginfont("EN:Inline definition") - fsize:=(60mm,12mm); + fsize:=(60mm,20mm); fmargin:=(2mm,1mm); sw_trimming:=1; MC(<30,!3,/'(!,/_,!,OH),!3) @@ -786,11 +774,11 @@ beginfont("EN:ratio_atomgap_atom") fsize:=(60mm,8mm); sw_aframe:=1; ratio_atomgap_atom:=0.00; - MCat(0, .5)(<-30,!2,2:O) + MCat(0, .5)(<30,!2,2:O) ratio_atomgap_atom:=0.050; %<<== default - MCat(.5, .5)(<-30,!2,2:O) + MCat(.5,.5)(<30,!2,2:O) ratio_atomgap_atom:=0.12; - MCat(1, .5)(<-30,!2,2:O) + MCat(1, .5)(<30,!2,2:O) endfont %*********************************************************************** beginfont("EN:ratio_chain_ring") @@ -806,29 +794,29 @@ endfont beginfont("EN:ratio_zebragap_bond") fsize:=(60mm,15mm); ratio_zebragap_bond:=0.06; - MCat(0.08, .5)(<-30,!2,2:/*_`1) + MCat(0.08, .5)(<30,!2,2:/*_`1) ratio_zebragap_bond:=0.12; %<<== default - MCat( .5, .5)(<-30,!2,2:/*_`1) + MCat( .5, .5)(<30,!2,2:/*_`1) ratio_zebragap_bond:=0.20; - MCat(0.92, .5)(<-30,!2,2:/*_`1) + MCat(0.92, .5)(<30,!2,2:/*_`1) endfont %*********************************************************************** beginfont("EN:Switwch numberingA") fsize:=(60mm,20mm); ratio_chain_ring:=1; numberA_start:=3; numberA_end:=8; - sw_numberA:=1; MCat(.5,.9)(<30,!9) - sw_numberA:=2; MCat(.5,.5)(<30,!9) - sw_numberA:=3; MCat(.5,.1)(<30,!9) + sw_numberA:=1; MCat(.5,.9)(<-30,!9) + sw_numberA:=2; MCat(.5,.5)(<-30,!9) + sw_numberA:=3; MCat(.5,.1)(<-30,!9) endfont %*********************************************************************** beginfont("EN:Switwch numberingB") fsize:=(60mm,20mm); ratio_chain_ring:=1; numberB_start:=3; numberB_end:=8; - sw_numberB:=1; MCat(.5,.9)(<30,!9) - sw_numberB:=2; MCat(.5,.5)(<30,!9) - sw_numberB:=3; MCat(.5,.1)(<30,!9) + sw_numberB:=1; MCat(.5,.9)(<-30,!9) + sw_numberB:=2; MCat(.5,.5)(<-30,!9) + sw_numberB:=3; MCat(.5,.1)(<-30,!9) endfont %*********************************************************************** beginfont("EN:Switwch trimming") @@ -900,7 +888,7 @@ endfont beginfont("EN:Switwch atom frame") fsize:=(60mm,15mm); sw_aframe:=1; - MC(<30,COOH,!0,COOH) + MC(<30,COOH,!,COOH) endfont %*********************************************************************** beginfont("EN:Local setting 1") @@ -918,16 +906,16 @@ beginfont("EN:Local setting 3") endfont %*********************************************************************** save_ratio:=ratio_thickness_bond; -beginfont("EN:Local setting 1") +beginfont("EN:Global setting 1") fsize:=(15mm,12mm); MC(Ph) endfont ratio_thickness_bond:=0.05; -beginfont("EN:Local setting 2") +beginfont("EN:Global setting 2") fsize:=(15mm,12mm); MC(Ph) endfont -beginfont("EN:Local setting 3") +beginfont("EN:Global setting 3") fsize:=(15mm,12mm); MC(Ph) endfont @@ -1001,32 +989,53 @@ beginfont("EN:ext()") label.bot("Diels-Alder Reaction",(0.5w,h)); ) endfont -sw_trimming:=1; -%*************************************************************************** -beginfont("EN:Acetamiprid","MW:222.676") - fsize:=(60mm,18mm); - MC( - <30,Ph,2:N,1:/Cl, - 4:\,!,N,/_,!,/_,!!,N,!,CN - ) +%*********************************************************************** +% Global ext() setting 1 +save_defaultsize:=defaultsize; +defaultsize:=5bp; +beginfont("EN:?3") + fsize:=(12mm,15mm); + MCat(0.5,1)(<30,?3) endfont -%*************************************************************************** -beginfont("EN:Fenitrothion","MW:277.231") - fsize:=(60mm,18mm); - MC(<30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,4:/NO2) +beginfont("EN:?4") + fsize:=(12mm,15mm); + MCat(0.5,1)(?4) + %------------------------------- + ext(label.top(inf_EN,(0.5w,0));) + %------------------------------- endfont -%*************************************************************************** -beginfont("EN:Permethrin","MW:391.288") - fsize:=(60mm,25mm); - MC(<-30,?3,2^-35:*/_,2^35:/*_,1:\,!!,/Cl,!,Cl, - 3:\,//O,!,O,!2,Ph,-4:\,O,-60,Ph) +beginfont("EN:?5") + fsize:=(12mm,15mm); + MCat(0.5,1)(?5) endfont -%*************************************************************************** -beginfont("EN:Endosulfan","MW:406.904"); - fsize:=(60mm,25mm); - MC(<26,?7,7=?6[13],11:@,208~wf`1.45,8~wb:#,10=d,{3,5}:O,4:S,4://O, - {8,9,10,11,12^-210,12^-150}:/Cl) -endfont; +beginfont("EN:?5") + fsize:=(12mm,15mm); + MCat(0.5,1)(?6) +endfont +%----------------------------------------------------------------------- +beginfont("EN:?3") + fsize:=(12mm,15mm); + MCat(0.5,1)(<30,?3) +endfont +%------------------------------- +ext(label.top(inf_EN,(0.5w,0));) +%------------------------------- +beginfont("EN:?4") + fsize:=(12mm,15mm); + MCat(0.5,1)(?4) +endfont +beginfont("EN:?5") + fsize:=(12mm,15mm); + MCat(0.5,1)(?5) +endfont +%--------- +ext_clear; +%--------- +beginfont("EN:?6") + fsize:=(12mm,15mm); + MCat(0.5,1)(?6) +endfont +defaultsize:=save_defaultsize; %*************************************************************************** beginfont("EN:Luciferin","MW:280.33") fsize:=(60mm,20mm); @@ -1034,11 +1043,6 @@ beginfont("EN:Luciferin","MW:280.33") {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH) endfont %*************************************************************************** -beginfont("EN:Warfarin","CAS:81-81-2","FM:C19H16O4","MW:308.33") - fsize:=(60mm,25mm); - MC(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8:\,/Ph`1,60,!,//O,!) -endfont -%*************************************************************************** beginfont("EN:Limonin") fsize:=(60mm,30mm); MC(<30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, @@ -1083,8 +1087,8 @@ endfont %*************************************************************************** beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37") fsize:=(60mm,22mm); - MC(<-30,O,!,//O,!,!,Ph, - $1:@,-120~zb,|,?7,6:*\^190`1.12,N,/_,3~wb:#,$3:*\*,!,OH) + MC(<30,O,!,//O,!,!,Ph, + $1:@,-60~zb,|,?7,6:*\^190`1.12,N,/_,3~wb:#,$3:*\*,!,OH) endfont %*************************************************************************** beginfont("EN:Rotenone"); @@ -1098,15 +1102,6 @@ beginfont("EN:Pyrethrin I"); 2:\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,-2:\,!4,{-1,-3}=dl) endfont; %*************************************************************************** -beginfont("EN:Validamycin") - fsize:=(60mm,20mm); - MC( - <30,?6,{5,6}:/OH,3:/!OH>rl, - $4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH, - $1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH - ) -endfont -%*************************************************************************** beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","MW:853.91") MC( ?6,5=dl,3:@,|=1,36,45,45,45,45,=|, diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf index b04218e18f6..79c8aec1e14 100644 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf differ diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 8ae6c125366..aaf20177991 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 2020.01.26 +% Molecular Coding Format manual by Akira Yamaji 2020.07.07 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%%\documentclass[a4paper,twoside]{article} @@ -138,7 +138,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. real number plus (+): Counterclockwize real number minus(-): Clockwize - <10,-30,45,-45,30,-30,60 + <-10,-30,45,-45,30,-30,60 \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -147,8 +147,8 @@ pk font,PNG,SVG,EPS or MDL MOL file. current angle and enviroment !6 : !,!,!,!,!,! - <30,!,!,!,!,!,! - <30,!6 + <-30,!,!,!,!,!,! + <-30,!6 \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -157,14 +157,14 @@ pk font,PNG,SVG,EPS or MDL MOL file. n:@ : Jump to An ** An: atom number(-999<=n<=4095) - <30,!6,3:@,0,!,5:@,-30 + <-30,!6,3:@,0,!,5:@,-30 \end{verbatim} \MCFgraph %------------------------------------ \begin{verbatim} 3:\ : 3:@,0 - <30,!6,3:\,! + <-30,!6,3:\,! \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -182,7 +182,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. \MCFgraph %----------------------------------------------------------------------------- \begin{verbatim} - <-30,!6, + <30,!6, 2:\~dr,!, : 2:@,0~dr,! 4:\`1.5,-90, : 4:@,0`1.5,-90 6:\^15,-60 : 6:@,0^15,-60 @@ -194,7 +194,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. n:# : Connect to An n1@#n2 : n1:@,n2:# - <30,!6,3:\,!3,6:#~bd,9@#4~bz + <-30,!6,3:\,!3,6:#~bd,9@#4~bz \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -225,8 +225,8 @@ pk font,PNG,SVG,EPS or MDL MOL file. tm : triple !! : !~db / !!! : !~tm - <30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm - <30,!~dm,!,!~dl,!,!~dr,!! ,!! ,!,!!! + <-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm + <-30,!~dm,!,!~dl,!,!~dr,!! ,!! ,!,!!! \end{verbatim} \MCFgraph \vspace{-3mm}% @@ -240,7 +240,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. zf : wedge dotted zb : wedge dotted backward - <30,!~wf,!,!~wb,!,!~zf,!,!~zb + <-30,!~wf,!,!~wb,!,!~zf,!,!~zb \end{verbatim} \MCFgraph \vspace{-3mm}% @@ -252,7 +252,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. \begin{verbatim} vf:vector forward / vb:vector backward - <30,!~vf,!,!~vb + <-30,!~vf,!,!~vb \end{verbatim} \MCFgraph \vspace{-3mm}% @@ -266,7 +266,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. dt : dotted / wv : wave bd : broad / bz : broad dotted - <30,!7,1=dt,3=wv,5=bd,7=bz + <-30,!7,1=dt,3=wv,5=bd,7=bz \end{verbatim} \MCFgraph \vspace{-3mm}% @@ -289,7 +289,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. wb_ : wedge backward over line bd_ : broad over line - <-30,!8,!,60,90`8, + <30,!8,!,60,90`8, {2~si_,4~wf_,6~wb_,8~bd_}:/_`2 \end{verbatim} \MCFgraph @@ -299,7 +299,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. \begin{verbatim} (!,!n)`length : change length of !,!n - <30,!2,!2`1.2,!2 + <-30,!2,!2`1.2,!2 ** !2`1.2 : '`1.2,!2 \end{verbatim} @@ -308,7 +308,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. \begin{verbatim} ``length : change all bond length after - <30,!2,``1.2,!4 + <-30,!2,``1.2,!4 \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -325,7 +325,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. \begin{verbatim} Insert hetero atom - <30,!2,O,!2,N,!2 + <-30,!2,O,!2,N,!2 \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -474,7 +474,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. \subsubsection{Insert group} \begin{verbatim} / : single - <30,!,/Me,!,/Et,!3,/Pr,!,/iPr, + <-30,!,/Me,!,/Et,!3,/Pr,!,/iPr, !3,/tBu,!,/Ph^-30,! ** Me:methyl(/_) Et:ethyl(/!) @@ -505,14 +505,14 @@ pk font,PNG,SVG,EPS or MDL MOL file. ` : change length > : change enviroment - <30,``1,!, + <-30,``1,!, /_`2^30,!2,/!2>lr,!2,/!2>rl,!) \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- \subsubsection{Add group} \begin{verbatim} - <-30,!17,2:/_,4:/!,6:/!2, + <30,!17,2:/_,4:/!,6:/!2, 10:/iPr,14:/tBu,16:/Ph^-60 \end{verbatim} \MCFgraph @@ -521,7 +521,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. \begin{verbatim} ~,^,` : change type,angle,length - <-30,!6, + <30,!6, {2~wf,4~zf,6^-30}:/_ \end{verbatim} \MCFgraph @@ -530,7 +530,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. ^,`,> : change angle,length,environment - <30,!7`1, + <-30,!7`1, 3:/_`2^30,5:/!2>lr,7:/!2>rl \end{verbatim} \MCFgraph @@ -551,7 +551,7 @@ pk font,PNG,SVG,EPS or MDL MOL file. >lr : left-right enviroment >rl : right-left enviroment - <30,!6, + <-30,!6, {3^-30,3,3^30}:/'(!3,"{lr}")>lr, {5^-30,5,5^30}:/'(!3,"{rl}")>rl \end{verbatim} @@ -562,20 +562,20 @@ pk font,PNG,SVG,EPS or MDL MOL file. >45 : fixed angle enviroment >'(-90,90,-90) : multi angle enviroment - <-30,!6,2>45:/'(!3,"{45}"), + <30,!6,2>45:/'(!3,"{45}"), {6>'(-90,90,-90)}:/'(!3,"{(-90,90,-90)}") \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- \subsection{Miscellaneous} %----------------------------------------------------------------------------- -\subsubsection{Change atom and Group} +\subsubsection{Change atom and add group} \begin{verbatim} NH,SO,SOO : inset hetero atom and group simultaneously - <30,!2,NH,!,SO,!,SOO,! + <-30,!2,NH,!,SO,!,SOO,! \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -602,21 +602,8 @@ pk font,PNG,SVG,EPS or MDL MOL file. >| : end brock |=n, bond length=n ,=| - <30,!2,|<,``1.2,!2,>|,!2 - <30,!2,|=1.2,!2,=|,!2 -\end{verbatim} -\MCFgraph -%----------------------------------------------------------------------------- -\subsubsection{Chain start multiple characters} -\begin{verbatim} - if chain start multi charactor string, - use !0 instead of ! - - MC(<30,COOH,!0,!3,COOH) -\end{verbatim} -\MCFgraph -\begin{verbatim} - MC(<30,COOH,!4,COOH) + <-30,!2,|<,``1.2,!2,>|,!2 + <-30,!2,|=1.2,!2,=|,!2 \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -959,7 +946,7 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) \subsubsection{Atom frame} \begin{verbatim} sw_aframe=1 ** default: sw_aframe=0 - MC(<30,COOH,!0,COOH) + MC(<30,COOH,!,COOH) \end{verbatim} \MCFgraph \newpage @@ -1095,6 +1082,7 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) beginfont() fsize:=(60mm,20mm); msize:=(1,0.85); + %--------------------------------------- MCat(0,0)(<30,Ph,3=dl,4:/NH2) add( labeloffset:=.7aw; @@ -1104,6 +1092,7 @@ beginfont() drawarrow B3m..A3+B2up**1.5aw ..{A3down}A3; ) + %--------------------------------------- MCat(1,0)(<30,?6,{1,5}=dl,4://NH2) add( labeloffset:=.7aw; @@ -1112,6 +1101,7 @@ beginfont() label(lonepair A3ang,A3+A3up**.7aw); ) ext(drawdblarrow (.4w,.4h)..(.55w,.4h);) + %--------------------------------------- endfont \end{verbatim} \MCFgraph @@ -1134,12 +1124,11 @@ endfont h[m]: molecular height ratio_thickness_char: pen thickness / char width - -%======================================== -ext(label(inf_EN,(.5w,0));) => all font -%======================================== +%---------------------------------------- beginfont() - fsize:=(70mm,30mm;); blength:=0.065; + fsize:=(70mm,30mm;); + blength:=0.065; + %--------------------------------------- MCat(0.1,0.5) (<-210,60`1,60`1,60`1,{1,3}=dl, 1:/R1,4:/R2^-60) @@ -1151,6 +1140,7 @@ beginfont() label.bot("Dienophile",p0+(.5w,0));) MCat(0.9,0.5) (<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1) + %--------------------------------------- ext( drawarrow (.52w,.5h)..(.6w,.5h); defaultscale:=0.7; @@ -1164,39 +1154,60 @@ endfont \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- -\newpage -\section{MCF example} -%----------------------------------------------------------------------------- -\subsection{Acetamiprid} +\subsection{Local ext() setting} \begin{verbatim} - <30,Ph,2:N,1:/Cl, - 4:\,!,N,/_,!,/_,!!,N,!,CN +beginfont("EN:?3") + fsize:=(12mm,15mm); + MCat(0.5,1)(<30,?3) +endfont +beginfont("EN:?4") + fsize:=(12mm,15mm); + MCat(0.5,1)(?4) + %------------------------------- + ext(label.top(inf_EN,(0.5w,0));) + %------------------------------- +endfont +beginfont("EN:?5") + fsize:=(12mm,15mm); + MCat(0.5,1)(?5) +endfont +beginfont("EN:?5") + fsize:=(12mm,15mm); + MCat(0.5,1)(?6) +endfont \end{verbatim} -\MCFgraph -%----------------------------------------------------------------------------- -\subsection{Fenitrothion} +\MCFgraph\MCFgraph\MCFgraph\MCFgraph +\subsection{Global ext() setting} \begin{verbatim} - <30,!,O,!,P,//S,/O!^160,!,O,!, - |,Ph,3:/_,4:/NO2 +ext_clear: reset global ext() + +beginfont("EN:?3") + fsize:=(12mm,15mm); + MCat(0.5,1)(<30,?3) +endfont +%------------------------------- +ext(label.top(inf_EN,(0.5w,0));) +%------------------------------- +beginfont("EN:?4") + fsize:=(12mm,15mm); + MCat(0.5,1)(?4) +endfont +beginfont("EN:?5") + fsize:=(12mm,15mm); + MCat(0.5,1)(?5) +endfont +%--------- +ext_clear; +%--------- +beginfont("EN:?6") + fsize:=(12mm,15mm); + MCat(0.5,1)(?6) +endfont \end{verbatim} -\MCFgraph +\MCFgraph\MCFgraph\MCFgraph\MCFgraph %----------------------------------------------------------------------------- -\subsection{Permethrin} -\begin{verbatim} - <-30,?3,2^-35:*/_,2^35:/*_, - 1:\,!!,/Cl,!,Cl, - 3:\,//O,!,O,!2,Ph, - -4:\,O,-60,Ph -\end{verbatim} -\MCFgraph %----------------------------------------------------------------------------- -\subsection{Endosulfan} -\begin{verbatim} - <26,?7,7=?6[13],11:@,208~wf`1.45,8~wb:#, - 10=d,{3,5}:O,4:S,4://O, - {8,9,10,11,12^-210,12^-150}:/Cl -\end{verbatim} -\MCFgraph +\section{MCF example} %----------------------------------------------------------------------------- \subsection{Luciferin} \begin{verbatim} @@ -1206,14 +1217,6 @@ endfont \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- -\subsection{Warfarin} -\begin{verbatim} - <30,Ph,3=?6,8=dl, - 10:O,7:/OH,9://O, - 8:\,/Ph`1,60,!,//O,! -\end{verbatim} -\MCFgraph -%----------------------------------------------------------------------------- \subsection{Limonin} \begin{verbatim} <30,?6,{-3,-4}=?6,-5=?3, @@ -1278,7 +1281,7 @@ endfont \subsection{Atoropin} \begin{verbatim} <-30,O,!,//O,!,!,Ph, - $1:@,-120~zb, + $1:@,-60~zb, |,?7,6:*\^190`1.02,N,/_,3~wb:#, $3:*\*,!,OH \end{verbatim} @@ -1301,14 +1304,6 @@ endfont \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- -\subsection{Validamycin} -\begin{verbatim} - <30,?6,{5,6}:/OH,3:/!OH>rl, - $4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH, - $1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH -\end{verbatim} -\MCFgraph -%----------------------------------------------------------------------------- \subsection{Paclitaxel} \begin{verbatim} ?6,5=d,3:@,|=1,36,45,45,45,45,=|,$5:#, @@ -1329,7 +1324,7 @@ endfont %------------------------------------------------------------------------- input mcf2graph.mf; % input macro %------------------------------------------------------------------------- -sw_aux_out:=1; % aux(information) file output on > Gloval setting +sw_aux_out:=1; % aux(information) file output on > Global setting fsize:=(60mm,40mm); % (font width,font height) > var3:="cal_MW"; tag3:="cMW"; > AUX file table var4:="cal_FM"; tag4:="cFM"; > 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 26fbaf0fcf4..0e12c41a352 100644 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf 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 c458dadf7e2..b20161f9bc6 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 2020.01.26 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2020.07.09 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%% mcf2graph.mf it must be version 4.48 or later +%%% mcf2graph.mf it must be version 4.49 or later \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% @@ -264,13 +264,13 @@ $12:\*^-15,O,60,//O,-60) fsize:=(80mm,70mm); beginfont("NO:6","EN:Vancomycin","MW:1449.25"); MCat(0.9,0)( - <30, + <-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, + $7:@,$26:#,$1:@,60,//O,60,NH,60,/*H,*/COOH^180,-60, Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,$4:#,=|, {3^40,6,9,12}://O,{2,5,8,11}:NH, - {1^180,4^180}:*/H,{7^-60,10^60,14^60}:/*H, + {1,4^180}:*/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, @@ -287,7 +287,7 @@ endfont; \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} -<30,|=1,!12,{1,3,12}=zf,7=wf, +<-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:#, @@ -295,7 +295,7 @@ $7:@,$26:#,$1:@,120,//O,60,NH,60, /*H,*/COOH^180,-60, Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,$4:#,=|, {3^40,6,9,12}://O,{2,5,8,11}:NH, -{1^180,4^180}:*/H, +{1,4^180}:*/H, {7^-60,10^60,14^60}:/*H, $10:*\^-60,60,//O,!,NH2,$13:*\,NH,!,//O,!, /!iPr^-35>60,*/H^60 ,!~zf,NH,!, @@ -361,16 +361,16 @@ beginfont("EN:TCA cycle") fsize:=(160mm,75mm); max_blength:=5mm; %------------------------------------------------------------------------ -MCat(0.33, 1)(<30,O[-1],!0,//O,!,//O,!2,//O,!,O[-1]) -MCat(0.66, 1)(<30,O[-1],!0,//O,!4,//O,!,O[-1],-4`1:\,//O,!,O[-1],4:/OH^-165) -MCat(1, 1)(<30,O[-1],!0,//O,!2,!~dr,!,//O,!,O[-1],-4`1:\,//O,!,O[-1]) -MCat(1, 0.55)(<30,O[-1],!0,//O,!4,//O,!,O[-1],-4:\`1,//O,!,O[-1]) -MCat(1, 0.05)(<30,O[-1],!0,//O,!3,//O,!,//O,!,O[-1],-4:\`1,//O,!,O[-1]) -MCat(0.66,0.05)(<30,O[-1],!0,//O,!3,//O,!,//O,!,O[-1]) -MCat(0.33,0.05)(<30,O[-1],!0,//O,!3,//O,!,"{S-CoA}") -MCat(0, 0.05)(<30,O[-1],!0,//O,!3,//O,!,O[-1]) -MCat(0, 0.55)(<30,O[-1],!0,//O,!,!~dr,!,//O,!,O[-1]) -MCat(0, 1)(<30,O[-1],!0,//O,!3,//O,!,O[-1],3:/OH) +MCat(0.33, 1)(<30,O[-1],!,//O,!,//O,!2,//O,!,O[-1]) +MCat(0.66, 1)(<30,O[-1],!,//O,!4,//O,!,O[-1],-4`1:\,//O,!,O[-1],4:/OH^-165) +MCat(1, 1)(<30,O[-1],!,//O,!2,!~dr,!,//O,!,O[-1],-4`1:\,//O,!,O[-1]) +MCat(1, 0.55)(<30,O[-1],!,//O,!4,//O,!,O[-1],-4:\`1,//O,!,O[-1]) +MCat(1, 0.05)(<30,O[-1],!,//O,!3,//O,!,//O,!,O[-1],-4:\`1,//O,!,O[-1]) +MCat(0.66,0.05)(<30,O[-1],!,//O,!3,//O,!,//O,!,O[-1]) +MCat(0.33,0.05)(<30,O[-1],!,//O,!3,//O,!,"{S-CoA}") +MCat(0, 0.05)(<30,O[-1],!,//O,!3,//O,!,O[-1]) +MCat(0, 0.55)(<30,O[-1],!,//O,!,!~dr,!,//O,!,O[-1]) +MCat(0, 1)(<30,O[-1],!,//O,!3,//O,!,O[-1],3:/OH) %------------------------------------------------------------------------- ext( defaultfont:="uhvr8r"; @@ -420,16 +420,16 @@ endfont beginfont("EN:TCA cycle") fsize:=(160mm,75mm); max_blength:=5mm; -MCat(0.33, 1)(<30,O[-1],!0,//O,!,//O,!2,//O,!,O[-1]) -MCat(0.66, 1)(<30,O[-1],!0,//O,!4,//O,!,O[-1],-4`1:\,//O,!,O[-1],4:/OH^-165) -MCat(1, 1)(<30,O[-1],!0,//O,!2,!~dr,!,//O,!,O[-1],-4`1:\,//O,!,O[-1]) -MCat(1, 0.55)(<30,O[-1],!0,//O,!4,//O,!,O[-1],-4:\`1,//O,!,O[-1]) -MCat(1, 0.05)(<30,O[-1],!0,//O,!3,//O,!,//O,!,O[-1],-4:\`1,//O,!,O[-1]) -MCat(0.66,0.05)(<30,O[-1],!0,//O,!3,//O,!,//O,!,O[-1]) -MCat(0.33,0.05)(<30,O[-1],!0,//O,!3,//O,!,"{S-CoA}") -MCat(0, 0.05)(<30,O[-1],!0,//O,!3,//O,!,O[-1]) -MCat(0, 0.55)(<30,O[-1],!0,//O,!,!~dr,!,//O,!,O[-1]) -MCat(0, 1)(<30,O[-1],!0,//O,!3,//O,!,O[-1],3:/OH) +MCat(0.33, 1)(<30,O[-1],!,//O,!,//O,!2,//O,!,O[-1]) +MCat(0.66, 1)(<30,O[-1],!,//O,!4,//O,!,O[-1],-4`1:\,//O,!,O[-1],4:/OH^-165) +MCat(1, 1)(<30,O[-1],!,//O,!2,!~dr,!,//O,!,O[-1],-4`1:\,//O,!,O[-1]) +MCat(1, 0.55)(<30,O[-1],!,//O,!4,//O,!,O[-1],-4:\`1,//O,!,O[-1]) +MCat(1, 0.05)(<30,O[-1],!,//O,!3,//O,!,//O,!,O[-1],-4:\`1,//O,!,O[-1]) +MCat(0.66,0.05)(<30,O[-1],!,//O,!3,//O,!,//O,!,O[-1]) +MCat(0.33,0.05)(<30,O[-1],!,//O,!3,//O,!,"{S-CoA}") +MCat(0, 0.05)(<30,O[-1],!,//O,!3,//O,!,O[-1]) +MCat(0, 0.55)(<30,O[-1],!,//O,!,!~dr,!,//O,!,O[-1]) +MCat(0, 1)(<30,O[-1],!,//O,!3,//O,!,O[-1],3:/OH) ext( defaultfont:="uhvr8r"; defaultscale:=0.75; diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index 15aeb765196..f0dedd16483 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 4.48 Copyright (c) 2013-2020 Akira Yamaji +% mcf2graph ver 4.49 Copyright (c) 2013-2020 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, @@ -60,7 +60,7 @@ if (known green)and(known ahlength): color color_list[]; prologues:=3; %----------------------------------------------------------------------------------------- - fontmapfile "pdftex.map"; +%% fontmapfile "pdftex.map"; %----------------------------------------------------------------------------------------- atomfont:=defaultfont:=""; out_file_aux:=jobname&"-info.aux"; @@ -125,7 +125,7 @@ fi clearit; %-------------------------------------------------------------------------------------------------- message "---------------------------------------------"; -message "This is mcf2graph ver 4.48 2020.01"; +message "This is mcf2graph ver 4.49 2020.07"; if f_MP=1: if bboxmargin=0: message "output no image file"; elseif bboxmargin=1: message "output first font only"; @@ -156,7 +156,7 @@ let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = primarydef a at b = fat(a,b) enddef; def fat(expr a,b)= mposition:=b; a enddef; def ext(text TXT)= sw_ext_all:=1; def EXT_ALL = TXT enddef; enddef; -def ext_clear= sw_ext_all:=0; def EXT_ALL = enddef; enddef; +def ext_clear= sw_ext_all:=0; def EXT_ALL = enddef; enddef; %-------------------------------------------------------------------------------------------------- ?3:=?20:=Ph:=Ph1:=Ph2:=hz:=0; vt:=1; ratio_chain_ring:= 0.66; ratio_atom_bond:=0.36; @@ -249,8 +249,8 @@ def beginfont(text s)= string info[],sumA,s_tag,s_var,cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str, inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW; %------------------------------------------------------------------------------------------------ - def ext=ext_font enddef; - def add=add_mole enddef; + def ext=ext_to_font enddef; + def add=add_to_molecule enddef; %------------------------------------------------------------------------------------------------ inf_NO:=inf_EN:=inf_JN:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:=inf_MW:=""; cal_MW:=cal_MW_str:=cal_FM:=""; @@ -274,7 +274,7 @@ def beginfont(text s)= enddef; %================================================================================================== def endfont= - if sw_ext_all=1: ext_font(EXT_ALL); fi + if sw_ext_all=1: ext_to_font(EXT_ALL); fi if sw_trimming>=1: nA:=nC:=4095; nB:=nD:=-4095; for i=1 upto cntM: @@ -311,8 +311,8 @@ def endfont= enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def set_def_MC= - save /,//,/*,*/,**,*/*,~,^,`,``,<,>,&,:,=,\,\\,*\,\*,*\*,@,#,@#,$,{,}, - |,||,|||,|=,=|,|<,>|,|:,:|,_,d,w,z,inside_def_MC; + save /,//,/*,*/,**,*/*,~,^,`,``,<,>,&,:,=,\,\\,*\,\*,*\*,@,#,@#,$, + {,},|,||,|||,|=,=|,|<,>|,|:,:|,_,d,w,z,inside_def_MC; inside_def_MC:=1; _:=Me; d:=db; w:=wf; z:=zf; tertiarydef a=b == if (known a)and(known b):: change_bond(a,b) else:: _nop fi enddef; @@ -466,7 +466,7 @@ enddef; %------------------------------------------------------------------------------------------------- def com_par(expr a,b)= nCP:=nCP+1; comD[parts_int][nCP]:=a; parD[parts_int][nCP]:=b; enddef; %------------------------------------------------------------------------------------------------- -def com_par_ext(expr f)(expr c)(expr a,b)= +def com_par_ex(expr f)(expr c)(expr a,b)= if c>=parts_int_start:: for i==1 upto cntD[c]:: if comD[c][i]==_numeric:: com_par(_set_adr,parD[c][i]) com_par(a,b) @@ -529,7 +529,7 @@ def ext_setup= fi enddef; %-------------------------------------------------------------------------------------------------- -def add_mole(text TXT)= +def add_to_molecule(text TXT)= begingroup save w,h,n,l,p,am,aw,A,B,plus,minus,lonepair,**,<<,/*; numeric A[]dir,B[]up,A[]ang,B[]ang; @@ -564,7 +564,7 @@ def add_mole(text TXT)= endgroup; enddef; %-------------------------------------------------------------------------------------------------- -def ext_font(text TXT)= +def ext_to_font(text TXT)= begingroup save w,h,wd,ht,n,p,am,aw; pair p[]; @@ -730,8 +730,8 @@ def MC(text TXT)= maxX,maxY,sA,sC,sD,pA,pB,factor,m_wd,m_ht,crR,CP,CPe,CPx,defaultsize,defaultscale; %----------------------------------------------------------------------------------------------- def CP= com_par enddef; - def CPe= com_par_ext(0) enddef; - def CPx= com_par_ext(1) enddef; + def CPe= com_par_ex(0) enddef; + def CPx= com_par_ex(1) enddef; %----------------------------------------------------------------------------------------------- string sA,sC,sD; pair pA,pB; @@ -863,7 +863,7 @@ def add_group= if lineT=nl: store_group(_chg_len,_size_atom) store_group(_adj_ang,0) fi if lineT<>nb: store_group(_mk_bond,0) fi for i=1 upto cntD[par]: store_group(comD[par][i],parD[par][i]) endfor - store_group(_com,_len_e) store_group(_com,_term) + store_group(_com,_len_e) store_group(_chg_env,hz) store_group(_com,_term) if f_lineT=0: lineT:=si; fi if f_lenT=0: lenT:=crR; fi if f_rotT=0: rotT:=0; fi @@ -1036,7 +1036,23 @@ def proc_skeleton(expr a)= enddef; %------------------------------------------------------------------------------------------------- def add_bond(expr ROT)= - if ROT=_arg_ang: nA:=proc_env(angT,envB); else: nA:=ROT; fi + if ROT=_arg_ang: + if cntB=0: + angT:=(angT-180) mod 360; nA:=180; + else: + nB:=(angT mod 360); + if envB>=parts_emb_start: nA:=parD[envB][cntB-temp_cntB]; + else: + if envB=hz: + if nB=0:nA:= 60;ef nB<=90:nA:=-60;ef nB<=180:nA:= 60;ef nB<270:nA:=-60;else:nA:= 60; fi + ef envB=vt: + if nB=0:nA:=-60;ef nB<90: nA:= 60;ef nB<=180:nA:=-60;ef nB<=270:nA:=60;else:nA:=-60; fi + ef (envB>=-180)and(envB<=180): nA:=envB; + fi + fi + fi + else: nA:=ROT; + fi if f_bra=0: adrT:=cntA:=cntA+1; posA[cntA]:=posBs; angA[cntA]:=angT; angX[cntA]:=(angT+nA/2+iif(nA>=0,-90,90)) mod 360; @@ -1081,17 +1097,6 @@ def proc_cyc(expr n)= add_bond(angle(posA[n]-posBs)-angT); enddef; vardef glu_atom(expr NUM)= if numS[NUM]<>0: nE:=angT mod 90; nF:=0.5atom_wd;(iif(nE<45,sind(nE),cosd(nE))*nF)++nF else: 0 fi enddef; -%-------------------------------------------------------------------------------------------------- -vardef proc_env(expr ANG,ENV)= - nA:=(ANG mod 360); - if ENV>=parts_emb_start: parD[ENV][cntB-temp_cntB] - else: - if ENV=hz: if nA=0:60 ef nA<=90:-60 ef nA<=180:60 ef nA<270:-60 else:60 fi - ef ENV=vt: if nA=0:-60 ef nA<90:60 ef nA<=180:-60 ef nA<=270:60 else:-60 fi - ef (ENV>=-180)and(ENV<=180): ENV - fi - fi -enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def draw_atom(expr NUM)= begingroup @@ -1101,7 +1106,8 @@ def draw_atom(expr NUM)= picture bA; %---------------------------------------------------------------------------------------------- sA:=strD[numS[NUM]]; slen:=length(sA)-1; - nA:=angX[NUM]; dxA[NUM]:=dx:=iif((nA<=90)or(nA>=270),1,-1); + nA:=angX[NUM]; + dxA[NUM]:=dx:=iif((nA<=90)or(nA>=270),1,-1); wdA[NUM]:=nC:=0; pB:=(0,0); pA:=posA[NUM]-(.5atom_wd*dx,.5atom_wd); if (atomfont<>"draw")and(f_MP=1): @@ -1222,7 +1228,7 @@ lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr); for i=3 upto 20: ?[i]:='(|:,(_get_len,_ring_len),<((-180 DIV i)-90) for j==2 upto i:: ,(360 DIV i) endfor,(_cyc_sB,1-i),:|); endfor Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5)); -!:=!1:='((_mk_bond,_arg_ang)); !!:='(!~db); !!!:='(!~tm); !0:='(<180,180); +!:=!1:='((_mk_bond,_arg_ang)); !!:='(!~db); !!!:='(!~tm); for i=2 upto 20: ![i]:='(|:,(_get_len,_tmp_len),! 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,0)); endfor endfor -- cgit v1.2.3