From fbfe7e9dd9a9c34097027af2457cad6cc2d8e255 Mon Sep 17 00:00:00 2001 From: Karl Berry Date: Wed, 3 Jan 2018 21:58:43 +0000 Subject: mcf2graph (3jan18) git-svn-id: svn://tug.org/texlive/trunk@46199 c570f23f-e606-0410-a88d-b1316a301751 --- Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 9 +- Master/texmf-dist/doc/metapost/mcf2graph/README | 2 +- .../doc/metapost/mcf2graph/mcf_exa_soc.mf | 36 ++--- .../doc/metapost/mcf2graph/mcf_example.pdf | Bin 236280 -> 236600 bytes .../doc/metapost/mcf2graph/mcf_example.tex | 6 +- .../doc/metapost/mcf2graph/mcf_man_soc.mf | 19 ++- .../doc/metapost/mcf2graph/mcf_manual.pdf | Bin 475173 -> 475263 bytes .../doc/metapost/mcf2graph/mcf_manual.tex | 48 ++++--- .../doc/metapost/mcf2graph/mcf_mplib_exa.pdf | Bin 221512 -> 179812 bytes .../doc/metapost/mcf2graph/mcf_mplib_exa.tex | 150 +++++++++++---------- 10 files changed, 145 insertions(+), 125 deletions(-) (limited to 'Master/texmf-dist/doc/metapost/mcf2graph') diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 93cedddccc4..7d6f704d48f 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,13 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2017-10-29 + Changelog of mcf2graph software package by Akira Yamaji 2017-01-03 ******************************************************************************* +[ver. 4.30 / 2018-01-03] + -change syntax &n + &n => n:& + -improve address error detection + -improve exand mode + -update MCF manual and examples + [ver. 4.29 / 2017-10-29] -miner update mcf2graph.mf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index c16004f04b6..993299f8dd4 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 : 4.29 2017-10-29 + version : 4.30 2018-01-03 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 650caaed780..55d7823f736 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 2017.10.29 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2018.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.29 or later +input mcf2graph.mf; %%% it must be version 4.30 or later %------------------------------------------------------------------------- font_wd:=33mm; font_ht:=24mm; @@ -74,7 +74,7 @@ endfont %*************************************************************************** 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) + ||,4:@,12~vf:&,23:@,12~vf:&) endfont %*************************************************************************** beginfont("EN:Captan","MW:300.578") @@ -92,7 +92,7 @@ beginfont("EN:Tetraconazole","MW:372.145") endfont %*************************************************************************** beginfont("EN:Endosulfan","MW:406.904"); - MCf(<26,?7,7=?6[13],11:@,208~wf`1.45,&8~wb,10=d,{3,5}:O,4:S,4://O, + MCf(<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; %*************************************************************************** @@ -179,7 +179,7 @@ beginfont("EN:Rifampicin","MW:822.94") |,-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, + 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 %*************************************************************************** @@ -212,16 +212,16 @@ endfont %*************************************************************************** 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,&$5, - -1:@,24,/*COO!^15,72,//O,&$1,>|, + -2:\,54~dl,|,?5,2=d,5:N,-2:\~dl,54,|,?5,5=d,5:N,-2:\~dl,$5:&, + -1:@,24,/*COO!^15,72,//O,$1:&,>|, {2,9,15,20~zf}:/_,8:/!,14:\,!!, - $4:\`1.45,Mg,&17,-1:@,&11~vb,-1:@,&23~vb, + $4:\`1.45,Mg,17:&,-1:@,11~vb:&,-1:@,23~vb:&, $21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_) endfont %************************************************************************** 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, + 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://_,13:*/OH,8:/*OH,14:*/_,{1^60,4^60}:*/H) endfont; %************************************************************************** @@ -237,8 +237,8 @@ beginfont("EN:Lycorine","MW:287.315") endfont %************************************************************************** beginfont("EN:Tetrodotoxine","MW:319.27") - 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~si_,$8:@,-15~si_,O,&$12,>|, + 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~si_:&,$8:@,-15~si_,O,$12:&,>|, $9:@,45,-60,OH,1^120://NH, {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH) endfont @@ -346,7 +346,7 @@ beginfont("EN:Pyrethrin I","MW:328.452"); endfont; %*************************************************************************** beginfont("EN:Erythromycin","MW:733.937"); -MCf(<30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,&1, +MCf(<30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&, 14:O,13:/*!,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, $3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, @@ -354,14 +354,14 @@ MCf(<30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,&1, endfont; %************************************************************************** beginfont("EN:Paclitaxel","MW:853.918") - MCf(?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,&$5,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, + MCf(?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, $1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, $7:\*,O,-45,//O,60,Ph,$11:*\,O,-60,//O,60,$12:\*^-15,O,60,//O,-60) endfont %************************************************************************** beginfont("EN:Mevastatin","MW:390.52") - MCf(<30,?6,2=d,4:*/H^60,|,-4=?6,2=d,9:*/_, + MCf(<30,?6,2=d,4:*/H^60,|,-4=?6,2=d,$9:*/_, $10:*\,!,60~wb,|,?6,6:O,-2://O,-4:/*OH,$5:\*,O,60,//O,!,*/_,!2) endfont %*************************************************************************** @@ -372,7 +372,7 @@ endfont %************************************************************************** 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,/_,&9~wb, + 7:@,60~wf`0.75,70~si_`1.3,45,N,/_,9~wb:&, 15=d,6:/OH,8^180:*/H,12:/*OH) endfont %************************************************************************** @@ -382,12 +382,12 @@ endfont %*************************************************************************** beginfont("EN:Quinine","MW:324.424") MCf(<30,Ph,3=Ph,7:N,6:/O!, - 10:\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4:*\,!!,2:@,165~zf,60,&5~zb) + 10:\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4:*\,!!,2:@,165~zf,60,5~zb:&) endfont %*************************************************************************** beginfont("EN:Atoropin","MW:289.375") MCf(<-30,O,!,//O,!,!,Ph, - $1:\~zb^-120,|,?7`1.1,6:*\^190`1.25,N,/_,&3~wb,$3:/!OH~wv) + $1:\~zb^-120,|,?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 6a16607a97d..f91b4bf4315 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 2486b6f94b7..eba84daff8d 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 2017.01.29 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2018.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} @@ -42,7 +42,7 @@ \unitlength=0.01mm\relax \@tempcnta=3300\relax \@tempcntb=3750\relax% \begin{picture}(\@tempcntb,\@tempcnta)% \advance\@tempcnta -300\relax% - \put(20,\@tempcnta){\tiny\bf [\the\fontnum] \MOLnameE}% + \put(20,\@tempcnta){\footnotesize\bf [\the\fontnum] \MOLnameE}% \advance\@tempcnta -250\relax% \put(20,\@tempcnta){\tiny\tt MW:\CALmw { / }FM:\CALfm}% \advance\@tempcnta -220\relax% @@ -74,7 +74,7 @@ Author : Akira Yamaji \quad Date : \today\\ Located at : http://www.ctan.org/pkg/mcf2graph\vspace{3mm}\\ \end{center} -{\footnotesize ** FM:Molecular formula calculated by mcf2graph \quad +{\small ** FM:Molecular formula calculated by mcf2graph \quad ** MW:Molecular weight calculated by mcf2graph}\vspace{3mm}\\ \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 6e075feb101..dc9e6be63ba 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 2017.10.29 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2018.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.29 or later +input mcf2graph.mf; %% it must be version 4.30 or later %------------------------------------------------------------------------ sw_auxout:=0; sw_mol_frame:=0; @@ -208,7 +208,7 @@ beginfont("EN:Connect atom") sw_numberA:=1; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MCf(<30,!6,3:\,!,&5~bd) + MCf(<30,!6,3:\,!,5~bd:&) endfont %*********************************************************************** beginfont("EN:ring") @@ -1008,7 +1008,7 @@ endfont %*************************************************************************** beginfont("EN:Endosulfan","MW:406.904"); font_ht:=25mm; - MCf(<26,?7,7=?6[13],11:@,208~wf`1.45,&8~wb,10=d,{3,5}:O,4:S,4://O, + MCf(<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; %*************************************************************************** @@ -1053,21 +1053,21 @@ endfont %*********************************************************************** beginfont("EN:Gibberellin A3","CAS:77-06-5","FM:C19H22O6","MW:346.37"); font_ht:=20mm; - 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, + 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://_,13:*/OH,8:/*OH,14:*/_,{1^60,4^60}:*/H) endfont %*************************************************************************** beginfont("EN:Quinine","CAS:130-95-0","FM:C20H24N2O2","MW:324.42") font_ht:=25mm; MCf(<30,Ph,3=Ph,7:N,6:/O!, - 10:\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4:*\,!!,2:@,165~zf,60,&5~zb) + 10:\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4:*\,!!,2:@,165~zf,60,5~zb:&) endfont %*************************************************************************** beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37") font_ht:=25mm; MCf(<-30,O,!,//O,!,!,Ph, - $1:@,-120~zb,|,?7,6:*\^190`1.12,N,/_,&3~wb,$3:\~wv,!,OH) + $1:@,-120~zb,|,?7,6:*\^190`1.12,N,/_,3~wb:&,$3:\~wv,!,OH) endfont %*************************************************************************** beginfont("EN:Rotenone"); @@ -1090,7 +1090,7 @@ endfont %*************************************************************************** beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","MW:853.91") MCf(?6,5=dl,3:@,|<,``1,36,45,45,45,45,>|, - &$5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, + $5:&,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60,12:\*^-15,O,60,//O,-60) @@ -1114,4 +1114,3 @@ beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65") endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% bye -e diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf index c1d5d34cb01..83fdf3c1590 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 59c0dae4a53..c551c31b267 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 2017.09.15 +% Molecular Coding Format manual by Akira Yamaji 2018.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%%\documentclass[a4paper,twoside]{article} @@ -64,15 +64,19 @@ \date{\today} \maketitle \begin{center} Located at http://www.ctan.org/pkg/mcf2graph \end{center} +\begin{center} Suggestion or request mail to: mcf2graph@gmail.com \end{center} %----------------------------------------------------------------------------- \thispagestyle{empty} -\vspace{10mm} +\vspace{3mm}% +\begin{center} {\@strufont% -\makebox[10mm]{}\char1 \raisebox{10mm}{\char2 }\char3 \raisebox{10mm}{\char4}\\ -\makebox[10mm]{}\char5 \raisebox{10mm}{\char6 }\char7 \raisebox{10mm}{\char8}\\ -\makebox[10mm]{}\char9 \raisebox{10mm}{\char10}\char11\raisebox{10mm}{\char12}\\ -\makebox[10mm]{}\char13\raisebox{10mm}{\char14}\char15\raisebox{10mm}{\char16}\\ -\makebox[10mm]{}\char17\raisebox{10mm}{\char18}\char19\raisebox{10mm}{\char20}\\} +\char1 \raisebox{10mm}{\char2 }\char3 \raisebox{10mm}{\char4}\\ +\char5 \raisebox{10mm}{\char6 }\char7 \raisebox{10mm}{\char8}\\ +\char9 \raisebox{10mm}{\char10}\char11\raisebox{10mm}{\char12}\\ +\char13\raisebox{10mm}{\char14}\char15\raisebox{10mm}{\char16}\\ +\char17\raisebox{10mm}{\char18}\char19\raisebox{10mm}{\char20}\\ +}% +\end{center} %----------------------------------------------------------------------------- \twocolumn \thispagestyle{empty} @@ -95,8 +99,8 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ \subsection{Make bond} \subsubsection{Chain} \begin{verbatim} - real number plus (+): anticlockwize - real number minus(-): clockwize + real number plus (+): Counterclockwize + real number minus(-): Clockwize <15,-30,45,-45,30,-30,60 \end{verbatim} @@ -153,16 +157,16 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ %----------------------------------------------------------------------------- \subsubsection{Connect atom} \begin{verbatim} - &n : Connect to An + n:& : Connect to An - <30,!6,3:\,!,&5~bd + <30,!6,3:\,!,5~bd:& \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- \subsubsection{Ring} \begin{verbatim} ?n : n membered ring(3<=n<=20) - ?6 : <-120,60,60,60,60,60,&1 + ?6 : <-120,60,60,60,60,60,1:& ?6 \end{verbatim} \MCFstructure @@ -1170,7 +1174,7 @@ drawarrow & drawdblarrow: %----------------------------------------------------------------------------- \subsection{Endosulfan} \begin{verbatim} - <26,?7,7=?6[13],11:@,208~wf`1.45,&8~wb, + <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} @@ -1235,9 +1239,9 @@ drawarrow & drawdblarrow: \subsection{Gibberellin} \begin{verbatim} <18,?5,3=?7,5=?6[12], - 8:@,160`1.3,&3, + 8:@,160`1.3,3:&, 13=dl,6=wf,8=wb, - 5:@,40~zf`1,O,60,//O^180,&14~zb, + 5:@,40~zf`1,O,60,//O^180,14~zb:&, 2:/COOH,7://_,13:*/OH,8:/*OH, 14:*/_,{1^60,4^60}:*/H \end{verbatim} @@ -1249,7 +1253,7 @@ drawarrow & drawdblarrow: 10:\,*/OH,/H~zf^-60,!, |,?6,2:N,1:*/H^60, 4:*\,!!, - 2:@,165~zf,60,&5~zb + 2:@,165~zf,60,5~zb:& \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -1257,7 +1261,7 @@ drawarrow & drawdblarrow: \begin{verbatim} <-30,O,!,//O,!,!,Ph, $1:@,-120~zb, - |,?7,6:*\^190`1.02,N,/_,&3~wb, + |,?7,6:*\^190`1.02,N,/_,3~wb:&, $3:\~wv,!,OH \end{verbatim} \MCFstructure @@ -1289,7 +1293,7 @@ drawarrow & drawdblarrow: %----------------------------------------------------------------------------- \subsection{Paclitaxel} \begin{verbatim} - ?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,&$5, + ?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&, -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, {4^35,4^-35,6}:/_,{3^-60,15}:*/OH, 8:/*H^-60,9:*/_^60,10://O, @@ -1349,8 +1353,8 @@ endfont > end font %------------------------------------------------------------------------ beginfont("NO:5","EN:Gibberellin A3"); > begin font(information) MCf(<18,?5,3=?7,5=?6[12], > begin MCF (5) - 8:@,160`1.3,&3,13=dl,6=wf,8=wb, > - 5:@,40~zf`1,O,60,//O^180,&14~zb, > + 8:@,160`1.3,3:&,13=dl,6=wf,8=wb, > + 5:@,40~zf`1,O,60,//O^180,14~zb:&, > 2:/COOH,7://_,13:*/OH,8:/*OH, > 14:*/_,{1^60,4^60}:*/H) > end MCF endfont; > end font @@ -1585,8 +1589,8 @@ M END font_wd:=50mm; font_ht:=50mm; beginfont("NO:4","EN:Gibberellin A3","MW:346.37"); MCf(<18,?5,3=?7,5=?6[12], - 8:@,160`1.3,&3,13=dl,6=wf,8=wb, - 5:@,40~zf`1,O,60,//O^180,&14~zb, + 8:@,160`1.3,3:&,13=dl,6=wf,8=wb, + 5:@,40~zf`1,O,60,//O^180,14~zb:&, 2:/COOH,7://_,13:*/OH,8:/*OH, 14:*/_,{1^60,4^60}:*/H ) 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 c57de96fb5a..3952d0bb94a 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 7249a504c0e..252b8a749da 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 2017.10.29 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2018.01.03 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%% mcf2graph.mf it must be version 4.29 or later +%%% mcf2graph.mf it must be version 4.30 or later \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% @@ -9,16 +9,15 @@ \usepackage{textcomp}% \mplibcodeinherit{enable}% \mplibverbatim{enable}% -\everymplib{if unknown Ph1: - input mcf2graph.mf; - sw_auxout:=1; - sw_label_emu:=1; - sw_font_frame:=4; - max_bond_length:=4.5mm; - defaultfont:="uhvr8r"; - defaultsize:=8bp; - defaultscale:=0.7; - fi}% +\everymplib{if unknown Ph1: input mcf2graph.mf; fi + sw_auxout:=1; + sw_label_emu:=1; + sw_font_frame:=4; + max_bond_length:=4.5mm; + defaultfont:="uhvr8r"; + defaultsize:=8bp; + defaultscale:=1; + }% %------------------------------------------------------------------------------ \pagestyle{empty} \topmargin=-20mm @@ -35,25 +34,26 @@ \end{center} \noindent% %------------------------------------------------------------------------------------ -{{\small {\tt FM(C) :} molecular formula calculated by mcf2graph}\\ -{{\small {\tt MW(C) :} molecular weight calculated by mcf2graph}\\ -{{\small {\tt MW(D) :} molecular weight from literature data}\vspace{5mm}\\ +{{\tt FM(C) :} molecular formula calculated by mcf2graph\\ +{{\tt MW(C) :} molecular weight calculated by mcf2graph\\ +{{\tt MW(D) :} molecular weight from literature data\vspace{5mm}\\ \begin{mplibcode} font_wd:=80mm; font_ht:=40mm; beginfont("NO:1","EN:Chlorophyll a","MW:893.49") MCd(.9,.9)(0,0.5)(<54, |<,``1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N, - -2:\,54~dl,|,?5,2=dl,5:N,-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,&$5, - -1:@,24,/*COO!^15,72,//O,&$1,>|, - 4:\`1.45,Mg,&17,-1:@,&11~vb,-1:@,&23~vb, + -2:\,54~dl,|,?5,2=dl,5:N,-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:&, + -1:@,24,/*COO!^15,72,//O,$1:&,>|, + 4:\`1.45,Mg,17:&,-1:@,11~vb:&,-1:@,23~vb:&, {2,9,15,20~zf}:/_,8:/!,14:\,!!, 21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_, ) EXT( label.lrt("("&inf_EN&")",(0,h)); - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); ) endfont \end{mplibcode} @@ -62,9 +62,9 @@ |<,``1,?5,{2,5}=dl,4:N,3:\,54~dl, |,?5,{2,4}=dl,5:N, -2:\,54~dl,|,?5,2=dl,5:N, --2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,&$5, --1:@,24,/*COO!^15,72,//O,&$1,>|, -4:\`1.45,Mg,&17,-1:@,&11~vb,-1:@,&23~vb, +-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:&, +-1:@,24,/*COO!^15,72,//O,$1:&,>|, +4:\`1.45,Mg,17:&,-1:@,11~vb:&,-1:@,23~vb:&, {2,9,15,20~zf}:/_,8:/!,14:\,!!, 21:@,-6~wf,!2,//O,!,O,!2,!!, |,!13,{1,5,9,13}:/_, @@ -83,9 +83,10 @@ beginfont("EN:beta-Carotene","MW:536.888") ) EXT( label.lrt("("&inf_EN&")",(0,h)); - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); ) endfont \end{mplibcode} @@ -103,7 +104,7 @@ endfont \begin{mplibcode} font_wd:=80mm; font_ht:=30mm; beginfont("NO:2","EN:Limonin","MW:470.51") - MCa(.6,0.5)(<30, + MCa(0.7,0.5)(<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}:/_,{1^60,5^180,16^60}:/*H, @@ -111,9 +112,10 @@ endfont ) EXT( label.lrt("("&inf_EN&")",(0,h)); - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); ) endfont \end{mplibcode} @@ -133,23 +135,24 @@ endfont \begin{mplibcode} font_wd:=80mm; font_ht:=20mm; beginfont("NO:4","EN:Gibberellin A3","MW:346.37"); - MCa(.6,0.5)( - <18,?5,3=?7,5=?6[12],8:@,160`1.3,&3,13=dl,6=wf,8=wb, - 5:@,40~zf`1,O,60,//O^180,&14~zb, + MCa(0.8,0.5)( + <18,?5,3=?7,5=?6[12],8:@,160`1.3,3:&,13=dl,6=wf,8=wb, + 5:@,40~zf`1,O,60,//O^180,14~zb:&, 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1^60,4^60}:*/H) EXT( label.lrt("("&inf_EN&")",(0,h)); - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); ) endfont; \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} -<18,?5,3=?7,5=?6[12],8:@,160`1.3,&3, +<18,?5,3=?7,5=?6[12],8:@,160`1.3,3:&, 13=dl,6=wf,8=wb, -5:@,40~zf`1,O,60,//O^180,&14~zb, +5:@,40~zf`1,O,60,//O^180,14~zb:&, 2:/COOH,7://_,13:*/OH,8:/*OH, 14:*/_,{1^60,4^60}:*/H) \end{verbatim} @@ -159,16 +162,17 @@ endfont; \begin{mplibcode} font_wd:=80mm; font_ht:=25mm; beginfont("EN:Morphine","MW:285.343") - MCf( + MCa(0.7,0.5)( <30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb, - 7:@,60~wf`0.75,70~si_`1.3,45,N,/_,&9~wb, + 7:@,60~wf`0.75,70~si_`1.3,45,N,/_,9~wb:&, 15=d,6:/OH,8^180:*/H,12:/*OH ) EXT( label.lrt("("&inf_EN&")",(0,h)); - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); ) endfont \end{mplibcode} @@ -177,7 +181,7 @@ endfont <30,Ph,2=?6,-4=?6,(1,12)=?5[2], -1:O,-1=zb, 7:@,60~wf`0.75,70~si_`1.3, -45,N,/_,&9~wb, +45,N,/_,9~wb:&, 15=dl, 6:/OH,8^180:*/H,12:/*OH \end{verbatim} @@ -187,8 +191,8 @@ endfont \begin{mplibcode} font_wd:=80mm; font_ht:=35mm; beginfont("NO:5","EN:Erythromycin","MW:733.93"); - MCa(.6,0.5)( - <30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,&1, + MCa(0.8,0.5)( + <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}:*/_,{4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, $3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, @@ -196,16 +200,17 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93"); ) EXT( label.lrt("("&inf_EN&")",(0,h)); - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); ) endfont; \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} <30,|<,``1,<-120,60,60,60,-60,60, -60,-60,60,60,60,-60,60,60,>|,&1, +60,-60,60,60,60,-60,60,60,>|,1:&, 14:O,13:/*Et,{1,9}://O,{2,10}:*/_, {4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, @@ -220,26 +225,29 @@ $5:\*^30`1.7,O,!,|,?6`.7,6:O, \begin{mplibcode} font_wd:=80mm; font_ht:=35mm; beginfont("EN:Paclitaxel","MW:853.918") - MCf(?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,&$5,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, + MCa(0.8,0.5)( + ?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, $1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, $7:\*,O,-45,//O,60,Ph,$11:*\,O,-60,//O,60,$12:\*^-15,O,60,//O,-60 ) EXT( label.lrt("("&inf_EN&")",(0,h)); - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); ) endfont \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} -?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,&$5, +?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&, -4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, {4^35,4^-35,6}:/_,{3^-60,15}:*/OH, 8:/*H^-60,9:*/_^60,10://O, -$1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, +$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) \end{verbatim} @@ -250,12 +258,12 @@ $12:\*^-15,O,60,//O,-60) \begin{mplibcode} font_wd:=80mm; font_ht:=65mm; beginfont("NO:6","EN:Vancomycin","MW:1449.25"); - MCa(0.5,0)( + MCa(0.9,0)( <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,$1:&, + $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,{7^-60,10^60,14^60}:/*H, $10:*\^-60,60,//O,!,NH2, @@ -265,9 +273,10 @@ beginfont("NO:6","EN:Vancomycin","MW:1449.25"); ) EXT( label.lrt("("&inf_EN&")",(0,h)); - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); ) endfont; \end{mplibcode} @@ -276,10 +285,10 @@ endfont; <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, +-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,{-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, @@ -315,9 +324,10 @@ $23:\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH, ) EXT( label.lrt("("&inf_EN&")",(0,.8h)); - label.lrt("FM(C): "&cal_FM,(0,.8h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,.8h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,.8h-12mm)); + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,.8h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,.8h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,.8h-13mm)); ) endfont \end{mplibcode} -- cgit v1.2.3