diff options
Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 63 |
1 files changed, 33 insertions, 30 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index bea273959d1..567ca20244c 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,8 +1,9 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2016.06.11 +% Molecular Coding Format manual by Akira Yamaji 2016.07.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} -\usepackage[dvipdfmx]{graphicx} +\usepackage{graphicx} +%%%%\usepackage[dvipdfmx]{graphicx} %%%%\usepackage[pdftex]{graphicx} %%%%\usepackage{epstopdf} \topmargin=-18mm @@ -18,7 +19,7 @@ \newdimen \gpman% \htman=47mm% \gpman=4mm% -\fontnum=1% +\fontnum=0% \tempnum=1% %---------------------------------------------------------------------------- \font\@strufont=mcf_man_soc\relax% @@ -47,11 +48,10 @@ \ifx\@tag\@cFM\edef\CALfm{\@var}\fi \fi}% \def\put@char{% - \begin{picture}(120,42)% - \put(0,35){\bf [\MOLnum] \MOLnameE}% - \put(6,30){\tt MW:\CALmw}% - \put(6,25){\tt FM:\CALfm}% - \put(40,0){\font\@strufont=\MOLfile\relax% + \begin{picture}(84,50)% + \put(0,45){\bf [\MOLnum]\MOLnameE}% + \put(5,40){\small\tt FM:\CALfm{ }MW:\CALmw}% + \put(10,0){\font\@strufont=\MOLfile\relax% \hbox{\@strufont\char\MOLchar}}% \end{picture}% } @@ -107,28 +107,37 @@ beginfont("NO:2","EN:Cholesterol") > begin font(information) endfont > end font %------------------------------------------------------------------------ bye + \end{verbatim} -%---------------------------------------------------------------------------- +%------------------------------------------------------------------------ +{\bf (Molecular structure output)}\vspace{5mm}\\ +\INFO{F:mcf_man_soc,C:84,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}% +\INFO{F:mcf_man_soc,C:85,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}% +\newpage +%------------------------------------------------------------------------ \noindent% -{\bf (Molecular information output)}\\ +{\bf (Molecular information output)}\vspace{2mm}\\ 'filename'-info.aux : for use in \TeX, it takes over filename, char number, molecular information,etc. \begin{verbatim} (sw_auxfix=0) -F:mcf_man_soc;C:85;cMW:335.37805;cFM:C15H17N3O4S;EN:Ampicillin +F:mcf_man_soc;C:85;cMW:349.40462;cFM:C16H19N3O4S;EN:Ampicillin F:mcf_man_soc;C:86;cMW:386.6532;cFM:C27H46O;EN:Cholesterol ..................................................... + ..................................................... (sw_auxfix=1) F;C;cMW;cFM;EN -mcf_man_soc;85;335.37805;C15H17N3O4S;Ampicillin +mcf_man_soc;85;349.40462;C16H19N3O4S;Ampicillin mcf_man_soc;86;386.6532;C27H46O;Cholesterol ...................................... + ...................................... ( tag : variable ) F : filename C : char number NO : serial number EN : english name cMW : molecular weight calculated cFM : molecular formula calculated MW : molecular weight from literature data + \end{verbatim} %---------------------------------------------------------------------------- {\bf (LaTeX file example)} @@ -154,28 +163,22 @@ MW : molecular weight from literature data \ifx\@tag\@FMc\edef\CALfm{\@var}\fi \fi}% \def\put@char{% - \begin{picture}(120,45)% - \put(10,35){\bf [\MOLnum] \MOLnameE}% - \put(16,30){\sf MW:\CALmw}% - \put(16,25){\sf FM:\CALfm}% - \put(20,0){\font\@strufont=\MOLfile\relax% + \begin{picture}(84,42)% + \put(0,38){\bf [\MOLnum]\MOLnameE{ }\small\tt/FM:\CALfm/MW:\CALmw}% + \put(10,0){\font\@strufont=\MOLfile\relax% \hbox{\@strufont\char\MOLchar}}% - \end{picture}}% + \end{picture}% \def\INFO#1{\@for\@temp:=#1\do{\mol@sel\@temp}\put@char}% \makeatother %-------------------------------------------------------------------- \begin{document} \unitlength=1mm% -\INFO{F:mcf_man_soc,C:85,NO:1,cMW:335.37805,cFM:C15H17N3O4S,EN:Ampicillin}\\% +\INFO{F:mcf_man_soc,C:85,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}% \INFO{F:mcf_man_soc,C:86,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}% \end{document} %-------------------------------------------------------------------- \end{verbatim}\vspace{5mm}% %############################################################################ -{\bf (Molecular structure output)}\\ -\INFO{F:mcf_man_soc,C:85,NO:1,cMW:335.37805,cFM:C15H17N3O4S,EN:Ampicillin}\\% -\INFO{F:mcf_man_soc,C:86,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}% -\newpage %---------------------------------------------------------------------------- \noindent %----------------------------------------------------------------------------- @@ -299,8 +302,8 @@ bz : broad dotted ov : over line $(2,4)dr : 2=dr,4=dr - <30,!5,1=bz,$(2,4)dr, - @(3~bd^-45`2,5~ov^45`2)/Me +<30,!3,!`2,!,$(2,4)dr, + @(3~bd`2^-30,5~ov`3^85,3~bz`3^-70)/Me ** 3~bd^-45`2 : ~~bd,^^-45,'`2,3 \end{verbatim} @@ -669,8 +672,8 @@ $(3)red : change color of B3 red \end{minipage} %%%%\MCFstructure % for Metafont \makebox(72,3.5)[t]{\frame{\makebox(68,42.3)% -{\includegraphics{mcf_man_soc-031.eps}}}}% for dvipdfmx -%%%%{\includegraphics[width=30mm]{mcf_man_soc-031.png}}}}% for pdfLaTeX +{\includegraphics{mcf_man_soc-035.eps}}}}% for dvipdfmx +%%%%{\includegraphics[width=30mm]{mcf_man_soc-035.png}}}}% for pdfLaTeX \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax% \vspace{\gpman}\\ %----------------------------------------------------------------------------- @@ -1245,9 +1248,9 @@ mcf_man_soc;88;1;Ampicillin \begin{minipage}[t][\htman]{90mm} \MCFtitle{Example(2) Colchicine} \begin{verbatim} - <30,Ph,@(1,2,6)/OMe,|,-4=?7, - |,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe, - #9\,NH,!,//O,! + <30,Ph,@(1,2,6)/OMe,-4=?7,-5=?7, + $(-1,-4,-6)dl,-2://O,-3:/OH, + 9\,NH,!,//O,! \end{verbatim} \end{minipage} \MCFstructure |