From 9a85ca320191b3d06008f820b014995ad9dc7d6b Mon Sep 17 00:00:00 2001 From: Karl Berry Date: Tue, 15 Nov 2016 22:46:47 +0000 Subject: mcf2graph (15nov16) git-svn-id: svn://tug.org/texlive/trunk@42515 c570f23f-e606-0410-a88d-b1316a301751 --- Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 6 +- Master/texmf-dist/doc/metapost/mcf2graph/README | 2 +- .../doc/metapost/mcf2graph/mcf_exa_soc.mf | 153 +++++++++++---------- .../doc/metapost/mcf2graph/mcf_example.pdf | Bin 246692 -> 242422 bytes .../doc/metapost/mcf2graph/mcf_example.tex | 2 +- .../doc/metapost/mcf2graph/mcf_manual.pdf | Bin 436188 -> 436379 bytes .../doc/metapost/mcf2graph/mcf_manual.tex | 84 +++++------ .../doc/metapost/mcf2graph/mcf_mplib_exa.pdf | Bin 122594 -> 122594 bytes 8 files changed, 127 insertions(+), 120 deletions(-) (limited to 'Master/texmf-dist/doc/metapost') diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 3826f7ec8c4..dbd4f1ecf86 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,10 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2016-11-05 + Changelog of mcf2graph software package by Akira Yamaji 2016-11-15 ******************************************************************************* +[ver. 4.05 / 2016-11-15] + -improve molecular checklist + -update MCF syntax manual + [ver. 4.04 / 2016-11-05] -improve clipping mode -update MCF syntax manual diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 2a152fe77da..aa648091eca 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 : 4.04 2016-11-05 + version : 4.05 2016-11-15 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 bbf4929b2e4..3ebecf6107a 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,10 +1,11 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.10.19 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.11.15 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %%% it must be version 4.02 or later %------------------------------------------------------------------------- font_wd#:=33mm#; font_ht#:=24mm#; +max_bond_length#:=5mm#; %------------------------------------------------------------------------- sw_auxout:=1; sw_font_frame:=0; @@ -26,152 +27,152 @@ var4:="cal_MW"; tag4:="cMW"; %%%% sw_MOLout:=1; %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png"; %************************************************************************** -beginfont("EN:Acetamiprid") - MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN) +beginfont("EN:Acetamiprid","MW:222.676") + MCf(<30,Ph,2:N,1:/Cl,4\,!,N,/Me,!,/Me,!~dr,N,!,CN) endfont %*************************************************************************** -beginfont("EN:Imidacloprid") - MCf(<30,Ph,1:N,6:/Cl,3\,!,|,?5,1:N,3:NH,2\\,!,NO2) +beginfont("EN:Imidacloprid","MW:255.662") + MCf(<30,Ph,1:N,6:/Cl,3\,!,|,?5,2=dl,1:N,3:N,2\,NH,!,NO2) endfont %*************************************************************************** -beginfont("EN:Thiamethoxam") - MCf(<30,?6,@(4,6)N,2:O,6:/Me,5\\,!,NO2,4\,!,|,?5,$(1,3)dl,3:N,5:S,4:/Cl) +beginfont("EN:Thiamethoxam","MW:291.71") + MCf(<30,?6,@(4,6)N,2:O,6:/Me,5\\,N,!,NO2,4\,!,|,?5,$(1,3)dl,3:N,5:S,4:/Cl) endfont %*************************************************************************** -beginfont("EN:Tebufenozide") +beginfont("EN:Tebufenozide","MW:352.478") MCf(<30,Ph,6:/Et,3\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,@(3,5)/Me) endfont %*************************************************************************** -beginfont("EN:Pyridaphenthion") +beginfont("EN:Pyridaphenthion","MW:340.334") MCf(<-30,!2,O,!,P,//S,/OEt^160>rl,!,O,!,|,?6,$(1,5)dl,@(2,3)N,4://O,3:/Ph) endfont %*************************************************************************** -beginfont("EN:Fenitrothion") +beginfont("EN:Fenitrothion","MW:277.231") MCf(<30,!,O,!,P,//S,/OMe^160,!,O,!,|,Ph,3:/Me,4:/NO2) endfont %*************************************************************************** -beginfont("EN:Permethrin") +beginfont("EN:Permethrin","MW:391.288") MCf(<-30,?3,2^-35:*/Me,2^35:/*Me,1\,!~dl,/Cl,!,Cl, 3\,//O,!,O,!2,|,Ph,3\,O,-60,Ph) endfont %*************************************************************************** -beginfont("EN:Bensultap") +beginfont("EN:Bensultap","MW:431.598") MCf(<30,Ph,4\,SOO,!,S,!2,N,/Me,!2,S,!,SOO,!,Ph) endfont %*************************************************************************** -beginfont("EN:Azoxystorbin") +beginfont("EN:Azoxystorbin","MW:403.394") MCf(<30,Ph,2:/OH,3\,O,!,|,Ph,@(4,6)N,3\,O,!,|,Ph,2\,/OMe,!,//O,!,O,!) endfont %*************************************************************************** -beginfont("EN:Isoprothiolane") +beginfont("EN:Isoprothiolane","MW:290.392") MCf(<30,!,/Me,!,O,!,//O,|,!2,//O,!,O,!,/Me,!,2\\,|,?5,@(2,5)S) endfont %*************************************************************************** -beginfont("EN:Etridiazole") +beginfont("EN:Etridiazole","MW:247.518") MCf(<18,?5,$(1,3)dl,@(2,4)N,5:S,1:/OEt,3:/CCl3) endfont %*************************************************************************** -beginfont("EN:Oxine-Copper") +beginfont("EN:Oxine-Copper","MW:351.852") MCf(Ph,4:N,5=Ph,-4\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N, ||,4*,&12~vf,23*,&12~vf) endfont %*************************************************************************** -beginfont("EN:Captan") - MCf(<12,?6,6=dl,3=?5,2:N,@(7,9)//O,8\,S,!,CCl3) +beginfont("EN:Captan","MW:300.578") + MCf(<12,?6,6=dl,3=?5,8:N,@(7,9)//O,8\,S,!,CCl3) endfont %*************************************************************************** -beginfont("EN:Chlorothalonil") +beginfont("EN:Chlorothalonil","MW:265.902") MCf(<30,Ph,@(1,2,4,6)/Cl,@(3,5)/CN) endfont %*************************************************************************** -beginfont("EN:Tetraconazole") +beginfont("EN:Tetraconazole","MW:372.145") MCf(<-6, ?5,$(2,5)d,@(1,2,4)N,4\,!3,O,!,/F^35,/F^-35,!,CF2,#7\,|,Ph,@(4,6)/Cl) endfont %*************************************************************************** -beginfont("EN:Endosulfan"); +beginfont("EN:Endosulfan","MW:406.904"); MCf(<26,?7,7=?6[13],11*,208~wf`1.45,&8~wb,10=dl,@(3,5)O,4:S,4://O, @(8,9,10,11,12^-210,12^-150)/Cl) endfont; %*************************************************************************** -beginfont("EN:Flutolanil") +beginfont("EN:Flutolanil","MW:323.315") MCf(<30,Ph,2:/CF3,3\,//O,!,NH,!,|,Ph,6:/OiPr) endfont %*************************************************************************** -beginfont("EN:Propiconazole") - MCf(<-6,?5,$(2,5)d,@(1,3,4)N,4\,!2,|,Ph,@(4,6)/Cl,#7\,|,?5,@(2,5)O,3:/Bu^24) +beginfont("EN:Propiconazole","MW:342.22") + MCf(<-6,?5,$(2,5)d,@(1,3,4)N,4\,!2,|,Ph,@(4,6)/Cl,#7*,|,?5,@(2,5)O,3:/Bu^24) endfont %*************************************************************************** -beginfont("EN:Pencycuron") +beginfont("EN:Pencycuron","MW:328.84") MCf(<30,Ph,6:/Cl,3\,!,N,/?6,!,//O,!,NH,!,Ph) endfont %*************************************************************************** -beginfont("EN:Asulam") +beginfont("EN:Asulam","MW:230.238") MCf(<30,Ph,6:/NH2,3\,SOO,!,NH,!,//O,!,O,!) endfont %*************************************************************************** -beginfont("EN:Oxadixyl") +beginfont("EN:Oxadiargyl","MW:341.19") MCf(<30,Ph,@(1,3)/Cl,4\,|,?5,2=dl,@(1,2)N,4:O,5://O,-3:/tBu,#6\,O,!2,!~tm) endfont %*************************************************************************** -beginfont("EN:Oxaziclomefone") +beginfont("EN:Oxaziclomefone","MW:376.277") MCf(<30,?6,4:N,2:O,1:/Me,5://O,6:/Ph,4\,/Me^35,/Me^-35,!,|,Ph,@(3,5)/Cl) endfont %*************************************************************************** -beginfont("EN:Cafenstrole") +beginfont("EN:Cafenstrole","MW:350.437") MCf(<30,Ph,@(2,4,6)/Me,3\,SOO,!,|,?5,$(2,5)d,@(2,4,5)N,4\,!,N,/Me,!2) endfont %*************************************************************************** -beginfont("EN:Cyclosulfamuron") +beginfont("EN:Cyclosulfamuron","MW:421.428") MCf(<30, Ph,5\,//O,!,?3,4\,NH,!,SOO,!,NH,!,//O,!,NH,!,|,Ph,@(2,6)N,@(3,5)/OMe) endfont %*************************************************************************** -beginfont("EN:Napropamide") +beginfont("EN:Napropamide","MW:271.36") MCf(<-30,Ph,3=Ph,10\,O,!,/Me^35,/Me^-35,!,//O,!,N,/Et,!) endfont %*************************************************************************** -beginfont("EN:Pyributicarb") +beginfont("EN:Pyributicarb","MW:330.446") MCf(<30,Ph,5:/tBu,3\,//O,!,S,!,N,/Me,!,|,Ph,@(5,6)/Me,3:/OMe) endfont %*************************************************************************** -beginfont("EN:Propyzamide") +beginfont("EN:Propyzamide","MW:256.126") MCf(<30,Ph,@(1,5)/Cl,3\,//O,!,NH,!,/Me^35,/Me^-35,!,!~tm) endfont %*************************************************************************** -beginfont("EN:Pendimethalin") +beginfont("EN:Pendimethalin","MW:281.312") MCf(<30,Ph,@(1,2)/Me,6:/Cl,@(3,5)/NO2,4\,NH,!,/Et,!2) endfont %*************************************************************************** -beginfont("EN:Benfluralin") +beginfont("EN:Benfluralin","MW:335.283") MCf(<30,Ph,@(1,3)/NO2,5:/CF3,2\,N,/Et,!4) endfont %*************************************************************************** -beginfont("EN:Trinexapac-ethyl") +beginfont("EN:Trinexapac-ethyl","MW:252.266") MCf(<30,?6,@(2,4)//O,6:/COOEt,3\\,/OH,!,?3) endfont %*************************************************************************** -beginfont("EN:Buprofezin") +beginfont("EN:Buprofezin","MW:305.44") MCf(<-30,?6,@(1,5)N,3:S,6://O,5:/tBu,4\\,N,!,tBu,1:/Ph) endfont %*************************************************************************** -beginfont("EN:Tricyclazole") +beginfont("EN:Tricyclazole","MW:189.236") MCf(<30,Ph,2:/Me,|,-4=?5,1:N,3:S,|,-3=?5,$(2,4)dl,@(2,3)N) endfont %*************************************************************************** -beginfont("EN:Phthalide") +beginfont("EN:Phthalide","MW:134.134") MCf(<30,Ph,@(1,2,5,6)/Cl,|,-4=?5,2:O,3://O) endfont %*************************************************************************** -beginfont("EN:Probenazole") +beginfont("EN:Probenazole","MW:223.246") MCf(<12,Ph,|,-4=?5,1:SOO,2:N,3\,O,!2,!~dr) endfont %*************************************************************************** -beginfont("EN:Simetryn") +beginfont("EN:Simetryn","MW:213.303") MCf(<30,Ph,@(2,4,6)N,5:/SMe,@(1,3)/NHEt) endfont %*************************************************************************** -beginfont("EN:Rifampicin") +beginfont("EN:Rifampicin","MW:822.953") MCf(<30, Ph,6:/Me^30,5:/OH,|,-6=?5,1:O,3://O,2:/*Me^60,|,-8=?6,@(2,4)d,@(1,4)/OH, {,``1,-2\,NH,60,//O,-60,/Me,60~dl,60,60~dl,-60, @@ -187,19 +188,19 @@ beginfont("EN:Wortmanin") #5\*,60,O,!,#14\*^-25,//O,!,O,!) endfont %*************************************************************************** -beginfont("EN:Ampicillin") +beginfont("EN:Ampicillin","MW:349.405") MCf(<45,?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,!,/*NH2,!,Ph) endfont %*************************************************************************** -beginfont("EN:Validamycin") +beginfont("EN:Validamycin","MW:497.494") 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) endfont %************************************************************************** -beginfont("EN:Oceltamivir") +beginfont("EN:Oceltamivir","MW:312.41") MCf(<30,?6,3=dl,1:/NH2,3:/COOEt,6:/NHCOMe,5\~zf,O,!,/Et,!2) endfont %*************************************************************************** @@ -208,7 +209,7 @@ beginfont("EN:Etyprostontromethamine") #3*\^6,!~dl,!3,O,0,Ph,#8*,|,?5,@(1,4)O,#4\*^-6,!,30~dl,30,!3,COOH) endfont %*************************************************************************** -beginfont("EN:Chlorophyll a") +beginfont("EN:Chlorophyll a","MW:893.509") MCf(<54,{,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N, -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,, -1*,24,/*COOMe^15,72,//O,,}, @@ -217,36 +218,36 @@ MCf(<54,{,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N, #21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me) endfont %************************************************************************** -beginfont("EN:Gibberellin A3"); +beginfont("EN:Gibberellin A3","MW:346.379"); MCf(<18,?5,3=?7,5=?6[12],8*,160`1.3,&3,13=dl,6=wf,8=wb, 5*,40~zf`1,O,50,//O^180,&14~zb, 2:/COOH,7://Me,13:*/OH,8:/*OH,14:*/Me,@(1^60,4^60)*/H) endfont; %************************************************************************** -beginfont("EN:Cholesterol") +beginfont("EN:Cholesterol","MW:386.664") MCf(<30,?6,$(-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,!) endfont %*************************************************************************** -beginfont("EN:Lycorine") +beginfont("EN:Lycorine","MW:287.315") MCf(<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,@(15,17)O, 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH) endfont %************************************************************************** -beginfont("EN:Tetrodotoxine") +beginfont("EN:Tetrodotoxine","MW:319.27") MCf({,``1,<60,-90,60,-30`1.15,150,60,,#3*,-135,60,-30`1.15,150,, #10\,O,60`1.33,60,~si_,#8*,-15~si_,O, ,},#9*,45,-60,OH,1^120://NH, @(5~zf^-15,7,9^-75,12,13~zf)/OH,@(2,6^180)NH) endfont %*************************************************************************** -beginfont("EN:beta-Carotene") +beginfont("EN:beta-Carotene","MW:536.888") MCf(<30,?6,3=dl,@(3,5^35,5^-35)/Me, 4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/Me, |,?6,6=dl,@(6,2^35,2^-35)/Me) endfont %************************************************************************** -beginfont("EN:alfa-Tocopherol") +beginfont("EN:alfa-Tocopherol","MW:430.717") MCf(<30,Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,8\,|,!12,@(4,8)/*Me,12:/Me) endfont %************************************************************************** @@ -254,50 +255,50 @@ beginfont("EN:Qercetin") MCf(<30,Ph,3=?6,9\,Ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH) endfont %*************************************************************************** -beginfont("EN:Limonin") +beginfont("EN:Limonin","MW:470.518") MCf(<30,?6,$(-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,$(1,4)dl,3:O) endfont %************************************************************************** -beginfont("EN:Cromolyn") +beginfont("EN:Cromolyn","MW:468.37") MCf(<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH, #2\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH) endfont %************************************************************************** -beginfont("EN:Emetine") +beginfont("EN:Emetine","MW:480.649") MCf(<30,Ph,$(-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,$(2,4)dl) endfont %*************************************************************************** -beginfont("EN:Colchicine") +beginfont("EN:Colchicine","MW:399.443") MCf(<30,Ph,@(1,2,6)/OMe,-4=?7,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OH, 9\,NH,!,//O,!) endfont %*************************************************************************** -beginfont("EN:Caffeine") +beginfont("EN:Caffeine","MW:194.194") MCf(<30,?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") +beginfont("EN:Acronycine","MW:321.376") 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) endfont %*************************************************************************** -beginfont("EN:Ibotenic acid") +beginfont("EN:Ibotenic acid","MW:158.113") MCf(<18,?5,4=d,3:O,2:NH,1://O,4\^-24,/NH2,!,COOH) endfont %************************************************************************** -beginfont("EN:Piperine") +beginfont("EN:Piperine","MW:285.343") MCf(<30,Ph,|,-1=?5,@(1,3)O,#4\,!~dr,!,!~dr,!,//O,!,|,?6,1:N) endfont %*************************************************************************** -beginfont("EN:Febrifugine") +beginfont("EN:Febrifugine","MW:301.346") MCf(<30,Ph,|,-4=?6,2=d,@(1,3)N,4://O,#9\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH) endfont %*************************************************************************** -beginfont("EN:Mitomycine C") +beginfont("EN:Mitomycine C","MW:334.332") MCf(<30,?6,$(3,6)dl,@(2,5)//O,1:/Me,|,-4=?5,1:N, #6:/NH2,|,-3=?5,|,-2=?3,-1=wb,-2=wf,-1:NH, #8:/*OMe^35,#9\`1^17.9,!,O,!,//O,!,NH2) @@ -308,15 +309,15 @@ beginfont("EN:Podophyllotoxin"); 10\*,Ph,@(-2,-3,-4)/OMe,#13:/*OH,@(#11~wf^-60,#12~zf^60)/H) endfont; %*************************************************************************** -beginfont("EN:Warfarin"); +beginfont("EN:Warfarin","MW:308.333"); MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!) endfont; %*************************************************************************** -beginfont("EN:Genistein"); +beginfont("EN:Genistein","MW:270.24"); MCf(<30,Ph,3=?6,10:O,@(2,6)/OH,9://O,8\,Ph,-3:/OH) endfont; %*************************************************************************** -beginfont("EN:Baicalein"); +beginfont("EN:Baicalein","MW:270.24"); MCf(<30,Ph,3=?6,10:O,@(1,2,6)/OH,9://O,8\,Ph) endfont; %*************************************************************************** @@ -324,24 +325,24 @@ beginfont("EN:Baicalein"); MCf(<30,Ph,3=?6,9=d,10:O,@(1,2,6)/OH,7://O,-2\,Ph) endfont; %*************************************************************************** -beginfont("EN:Reserpine"); +beginfont("EN:Reserpine","MW:608.688"); MCf(<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, @(15^-60,16^60)/*H, #20*\,O,!,//O,!,|,Ph,@(-2,-3,-4)/OMe,@(#1,#19~zf>rl)/OMe, #18*\,//O,!,O,!) endfont; %*************************************************************************** -beginfont("EN:Rotenone"); +beginfont("EN:Rotenone","MW:394.423"); MCf(<-60,?5,$(-3,-2,-3,-4)?6,$(7,9,-2,-4)dl,$(3,17)dr, @(2,13,16)O,10://O,@(11^-60,12^60)*/H,@(-2,-3)/OMe,1*\,/Me,!~dl) endfont; %*************************************************************************** -beginfont("EN:Pyrethrin I"); +beginfont("EN:Pyrethrin I","MW:328.452"); 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\,!4,$(-1,-3)dl) endfont; %*************************************************************************** -beginfont("EN:Erythromycin"); +beginfont("EN:Erythromycin","MW:733.937"); 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, @@ -349,39 +350,39 @@ MCf(<30,{,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1, #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/Me,2:/OH,3:/NMeMe) endfont; %************************************************************************** -beginfont("EN:Paclitaxel") +beginfont("EN:Paclitaxel","MW:853.918") MCf(?6,5=d,3*,{,``1,36,45,45,45,45,},,-4=?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,#11*\,O,-60,//O,60,#12\*^-15,O,60,//O,-60) endfont %************************************************************************** -beginfont("EN:Mevastatin") +beginfont("EN:Mevastatin","MW:390.52") MCf(<30,?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") +beginfont("EN:Sesamine","MW:330.336") 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) endfont %************************************************************************** -beginfont("EN:Morphine") +beginfont("EN:Morphine","MW:285.343") MCf(<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb, 7*,60~wf`0.75,70~si_`1.3,45,N,/Me,&9~wb, 15=dl,6:/OH,8^180:*/H,12:/*OH) endfont %************************************************************************** -beginfont("EN:Capsaicin") +beginfont("EN:Capsaicin","MW:305.418") MCf(<30,Ph,1:/OH,6:/OMe,4\,!,NH,!,//O,|,!8,-3=dr,-1:/Me) endfont %*************************************************************************** -beginfont("EN:Quinine") +beginfont("EN:Quinine","MW:324.424") 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) endfont %*************************************************************************** -beginfont("EN:Atoropin") +beginfont("EN:Atoropin","MW:289.375") MCf(<-30,O,!,//O,!,!,Ph, #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 index 5efadc6d550..42d11722bb7 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_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index db3d5b2ff6b..c039f1e1611 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 2016.8.06 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.11.15 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf index 25b0d186306..8126f5e7e67 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 04ee963c93e..03b78cd584e 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 2016.11.05 +% Molecular Coding Format manual by Akira Yamaji 2016.11.15 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%%\usepackage{graphicx} @@ -1198,52 +1198,54 @@ MW : molecular weight from literature data \end{verbatim} \paragraph{(Output)} \begin{verbatim} -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular name = Caffeine -% There were 0 warnings / Expanded command count= 75 -% width * height = 39.54677 * 36.84769 -% Shift width * height = -9.33592 * -12.77518 -% Bond length = 9.23628 Atom size = 4.12209 -% Atom count= 14 Bond count= 15 Ring count= 2 Hide H = 10 -%-----------------------------------< atom >< bond >------- -% 1 ( 0 ) ( 0 ) C 4 -% 2 ( 0.86603 ) ( -0.5 ) N 3 -% 3 ( 1.73206 ) ( 0 ) C 4 -% 4 ( 1.73206 ) ( 1 ) C 4 -% 5 ( 0.86603 ) ( 1.5 ) C 4 -% 6 ( 0 ) ( 1 ) N 3 -% 7 ( 2.6831 ) ( -0.30902 ) N 3 -% 8 ( 3.27089 ) ( 0.5 ) C 3 -% 9 ( 2.6831 ) ( 1.30902 ) N 3 -% 10 ( 0.86603 ) ( -1.38315 ) C 1 -% 11 ( -0.78764 ) ( 1.45474 ) C 1 -% 12 ( 2.95923 ) ( 2.15886 ) C 1 -% 13 ( -0.78764 ) ( -0.45474 ) O 2 -% 14 ( 0.86603 ) ( 2.38315 ) O 2 -%Bond list--------------------------------------------------------- -% 1 1 -> 2 ( 1) -% 2 2 -> 3 ( 1) -% 3 3 -> 4 ( 2) -% 4 4 -> 5 ( 1) -% 5 5 -> 6 ( 1) -% 6 6 -> 1 ( 1) -% 7 3 -> 7 ( 1) -% 8 7 -> 8 ( 2) -% 9 8 -> 9 ( 1) -% 10 9 -> 4 ( 1) -% 11 2 -> 10 ( 1) -% 12 6 -> 11 ( 1) -% 13 9 -> 12 ( 1) -% 14 1 -> 13 ( 2) -% 15 5 -> 14 ( 2) -%Fomula / Molecular weight --------------------------------------- +%------------------------------------------------------------------ +% Molecular name = Caffeine +% Warnings = 0 / Expanded command = 75 +% Width * Height = 39.5496 * 36.85023 +% Shift width * height = -9.33653 * -12.77606 +% Bond length = 9.23695 Atom size = 4.12231 +% Atom count= 14 Bond count= 15 Ring count= 2 Hide H count= 10 +%------------------------------------------------------------------ +%< NO. >< x axis , y axis >< atom >< bond >< hide_H > +% A1 ( 0 , 0 ) C 4 +% A2 ( 0.866 , -0.5 ) N 3 +% A3 ( 1.732 , 0 ) C 4 +% A4 ( 1.732 , 1 ) C 4 +% A5 ( 0.866 , 1.5 ) C 4 +% A6 ( 0 , 1 ) N 3 +% A7 ( 2.683 , -0.309 ) N 3 +% A8 ( 3.271 , 0.5 ) C 3 1 +% A9 ( 2.683 , 1.309 ) N 3 +% A10 ( 0.866 , -1.383 ) C 1 3 +% A11 ( -0.788 , 1.455 ) C 1 3 +% A12 ( 2.959 , 2.159 ) C 1 3 +% A13 ( -0.788 , -0.455 ) O 2 +% A14 ( 0.866 , 2.383 ) O 2 +%------------------------------------------------------------------ +%< NO. >< bond (sdt)> +% B1 1 -> 2 ( 1) 330 ( -30) 1 ( 9.24) +% B2 2 -> 3 ( 1) 30 ( 30) 1 ( 9.24) +% B3 3 -> 4 ( 2) 90 ( 90) 1 ( 9.24) +% B4 4 -> 5 ( 1) 150 ( 150) 1 ( 9.24) +% B5 5 -> 6 ( 1) 210 ( -150) 1 ( 9.24) +% B6 6 -> 1 ( 1) 270 ( -90) 1 ( 9.24) +% B7 3 -> 7 ( 1) 342 ( -18) 1 ( 9.24) +% B8 7 -> 8 ( 2) 54 ( 54) 1 ( 9.24) +% B9 8 -> 9 ( 1) 126 ( 126) 1 ( 9.24) +% B10 9 -> 4 ( 1) 198 ( -162) 0.66 ( 6.1) +% B11 2 -> 10 ( 1) 270 ( -90) 0.66 ( 6.1) +% B12 6 -> 11 ( 1) 150 ( 150) 0.66 ( 6.1) +% B13 9 -> 12 ( 1) 72 ( 72) 0.66 ( 6.1) +% B14 1 -> 13 ( 2) 210 ( -150) 0.66 ( 6.1) +% B15 5 -> 14 ( 2) 90 ( 90) 0.66 ( 6.1) +%------------------------------------------------------------------ % C ( 12.0107) * 8 = 96.08557 % H ( 1.00793) * 10 = 10.07935 % N ( 14.0067) * 4 = 56.0268 % O ( 15.9994) * 2 = 31.99881 % Weight Calc: 194.19052 / Input: 194.19 / weight gap= 0.00052 % Fomula Calc: C8H10N4O2 / Input: C8H10N4O2 / MACTCH -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%================================================================== \end{verbatim}% \newpage %------------------------------------------------------------------------ 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 90998d55bdf..7e6621922a2 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 -- cgit v1.2.3