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 | 60 |
1 files changed, 23 insertions, 37 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index c83840b2a35..da90e22f983 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,24 +1,18 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2021.10.10 +% Molecular Coding Format manual by Akira Yamaji 2021.11.23 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[pdftex]{graphicx} \usepackage[pdftex]{hyperref} +%%%\usepackage[dvipdfmx]{graphicx} +%%%\usepackage[dvipdfmx]{hyperref} \usepackage{makeidx} \makeindex \hypersetup{colorlinks=true,linkcolor=blue} \usepackage{mcf_setup} \edef\MCFjobname{mcf_man_soc}% %---------------------------------------------------------------------------- -%%%%\pdfpkresolution=1200 -%---------------------------------------------------------------------------- -%%%%\edef\fext{pk}% **** for proof print (fast, not complete output) -\edef\fext{mps}% **** for final print (it takes long time) -%---------------------------------------------------------------------------- -%%%%\edef\fext{png}% -%%%%\edef\fext{svg}% -%%%%\edef\fext{eps}% -%---------------------------------------------------------------------------- +\edef\fext{mps}% \topmargin=-18mm \textheight=254mm \textwidth=168mm @@ -40,16 +34,9 @@ %---------------------------------------------------------------------------- \makeatletter %---------------------------------------------------------------------------- -\font\@strufont=\MCFjobname\relax% -%---------------------------------------------------------------------------- \def\MCFgraph{% -\ifx\fext\@pk{\@strufont\char\fnum}% -\else% \edef\file@name{\MCFjobname-\z@num\fnum.\fext}% -\setbox\fbox=\hbox{\@strufont\char\fnum}% -\includegraphics[width=\wd\fbox,height=\ht\fbox]{\file@name}% -%%%%%%\includegraphics{\file@name}% -\fi% +\includegraphics{\file@name}% \global\advance\fnum\@ne\relax% }% %---------------------------------------------------------------------------- @@ -207,7 +194,6 @@ $n (0<=n<360): absolute angle \index{db}% \index{tm}% \begin{verbatim} - (Double,triple) a~type : ~~type,a dm : double middle @@ -446,14 +432,14 @@ attached bond length \begin{verbatim} (Attached 2 bond) -(4,11)=?6[4] : fuse 4/6 ring to B11..B4 -(4,11)=?5[3] : fuse 3/5 ring to B11..B4 -(4,11)=?4[2] : fuse 2/4 ring to B11..B4 +(4,11)=?6 : fuse 4/6 ring to B11..B4 +(4,11)=?5 : fuse 3/5 ring to B11..B4 +(4,11)=?4 : fuse 2/4 ring to B11..B4 ** ?m[n] (4<=m<=6,n=m-2) -1:<30,?6,3=?6,(11,4)=?6[4] -2:<30,?6,3=?6,(11,4)=?5[3] -3:<30,?6,3=?6,(11,4)=?4[2] +1:<30,?6,3=?6,(11,4)=?6 +2:<30,?6,3=?6,(11,4)=?5 +3:<30,?6,3=?6,(11,4)=?4 \end{verbatim} \MCFgraph \vspace{-3mm}% @@ -676,7 +662,7 @@ MC(<30,?6,{4,6}:/iBuOH) \MCFgraph %----------------------------------------------------------------------------- \subsubsection{Serial number} -\index{--}% +\index{\-\-}% \begin{verbatim} 6--10 : 6,7,8,9,10 <30,!14,{2,6--10,14}:/_~bd_r`0.5 @@ -1420,7 +1406,7 @@ endfont \begin{verbatim} beginfont("EN:Colchicine","MW:385.41", %------------------------------------- - ": <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7, ", + ": <30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ", ": {-1,-4,-6}=dl,-2://O,-3:/O!, ", ": @9,\,NH,!,//O,! ") %------------------------------------- @@ -1574,11 +1560,15 @@ bye \subsection{Molecular data base file} \begin{verbatim} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.04.18 +% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.11.14 +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% tag1:var1;tag2:var2;tag3:var3 ..... +% first character of line "%" comment out +% first character of line "+" begin MCF +% first string of line "+-" end MCF +% first string of line "%-" end header +% Cat = Category %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% tag1:var1;tag2:var2;tag3:var3 .... -% first character of line '%' comment out -% first character of line '+' begin MCF , end MCF %------------------------------------------------------------------------------ Cat:biological;EN:Adenine;MW:135.13 + @@ -1624,10 +1614,6 @@ Cat:biological;EN:Stearic acid;MW:284.48 + <30,!17,COOH +------------------------------------------------------------------------------ -Cat:biological;EN:Linoleic acid;MW:280.45 -+ -<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr -+------------------------------------------------------------------------------ \end{verbatim} %------------------------------------------------------------------------------ \noindent% @@ -1674,12 +1660,12 @@ Cat:biological;EN:Cianidanol;MW:290.27;EXA:1 +------------------------------------------------------------------------------ Cat:biological;EN:Lycorine;MW:287.315;EXA:1 + -<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O, +<30,Ph,{-4,-2}=?6,{6,(9,12)}=?5,13=dl,8:N,{15,17}:O, 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH +------------------------------------------------------------------------------ Cat:biological;EN:Morphine;MW:285.343;EXA:1 + -<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb, +<30,Ph,{2,-4}=?6,(1,12)=?5[2],-1:O,-1=zb, @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH +------------------------------------------------------------------------------ Cat:biological;EN:Piperine;MW:285.343;EXA:1 |