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-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex63
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