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-rw-r--r--graphics/mcf2graph/mcf_manual.tex40
1 files changed, 17 insertions, 23 deletions
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex
index a756a684e1..6588d356a0 100644
--- a/graphics/mcf2graph/mcf_manual.tex
+++ b/graphics/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2022.10.10
+% Molecular Coding Format manual by Akira Yamaji 2022.11.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%\usepackage{graphicx}
@@ -429,16 +429,17 @@ attached bond length
\MCFgraph
%-----------------------------------------------------------------------------
%%%\subsubsection{Attached 2 bond}
+\index{--}%
\begin{verbatim}
(Attached 2 bond)
-(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
+{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
-1:<30,?6,3=?6,(11,4)=?6
-2:<30,?6,3=?6,(11,4)=?5
-3:<30,?6,3=?6,(11,4)=?4
+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}%
@@ -446,17 +447,16 @@ attached bond length
\end{verbatim}
%-----------------------------------------------------------------------------
%%%\subsubsection{Attached 3 bond}
+\index{---}%
\begin{verbatim}
(Attached 3 bond)
-(16,4)=?6[3] or {(16',4)}=?6
- : fuse 3/6 ring to B16..B4
-(16,4)=?5[2] or {(16',4)}=?5
- : fuse 2/5 ring to B16..B4
-** ?m[n] (5<=m<=6,n=m-3)
+{16---4}=?6 : fuse 3/6 ring to B16..B4
+{16---4}=?5 : fuse 2/5 ring to B16..B4
+
+1:?6,{3,10,16---4}=?6
+2:?6,{3,10}=?6,{16---4}=?5
-1:?6,{3,10,(16',4)}=?6
-2:?6,{3,10}=?6,(16,4)=?5[2]
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
@@ -464,15 +464,14 @@ attached bond length
\end{verbatim}
%-----------------------------------------------------------------------------
%%%%\subsubsection{Attached 4 bond}
+\index{----}%
\begin{verbatim}
(Attached 4 bond)
-(21,4)=?6[2] or {(21',4')}=?6
- : fuse 2/6 ring to B21..B4
+{21----4}=?6 : fuse 2/6 ring to B21..B4
-<-30,?6,{3,10,15,(21',4')}=?6
+<-30,?6,{3,10,15,21----4}=?6
-** ?m[n] (m=6,n=2)
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -1651,29 +1650,24 @@ Cat:biological;EN:Atoropin;MW:289.375;EXA:1
:
<30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv
;
-%------------------------------------------------------------------------------
Cat:biological;EN:Luteolin;MW:286.24;EXA:-
:
<30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH
;
-%------------------------------------------------------------------------------
Cat:biological;EN:Lycorine;MW:287.315;EXA:1
:
<30,Ph,{-4,-2}=?6,{6,(9,12)}=?5,13=dl,8:N,{15,17}:O,
{9'^180,10^60}:*/H,{13,14'}:*/OH
;
-%------------------------------------------------------------------------------
Cat:biological;EN:Morphine;MW:285.343;EXA:1
:
<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
:
<30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,//O,!,?6,-6:N
;
-%------------------------------------------------------------------------------
\end{verbatim}
%------------------------------------------------------------------------------
\noindent%