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-rw-r--r--graphics/mcf2graph/mcf_manual.tex29
1 files changed, 14 insertions, 15 deletions
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex
index da90e22f98..2211198827 100644
--- a/graphics/mcf2graph/mcf_manual.tex
+++ b/graphics/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.11.23
+% Molecular Coding Format manual by Akira Yamaji 2021.12.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[pdftex]{graphicx}
@@ -294,9 +294,9 @@ wb_r : wedge backward (half width)
\subsubsection{Change multiple bond type}
\index{vf}%
\begin{verbatim}
-{2,4,6}=dr : 2=dr,4=dr,6=dr
+{2,4,6,8<}=dl : 2=dl,4=dl,6=dl,8=dr
-<30,!7,{2,4,6}=dr
+<30,!7,{2,4,6,8<}=dl
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -435,7 +435,6 @@ attached bond length
(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
2:<30,?6,3=?6,(11,4)=?5
@@ -450,11 +449,13 @@ attached bond length
\begin{verbatim}
(Attached 3 bond)
-(16,4)=?6[3] : fuse 3/6 ring to B16..B4
-(16,4)=?5[2] : fuse 2/5 ring to B16..B4
+(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)
-1:?6,{3,10}=?6,(16,4)=?6[3]
+1:?6,{3,10,(16<,4)}=?6
2:?6,{3,10}=?6,(16,4)=?5[2]
\end{verbatim}
\MCFgraph
@@ -466,9 +467,10 @@ attached bond length
\begin{verbatim}
(Attached 4 bond)
-(21,4)=?6[2] : fuse 2/6 ring to B21..B4
+(21,4)=?6[2] or {(21<,4<)}=?6
+ : fuse 2/6 ring to B21..B4
-MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
+<-30,?6,{3,10,15,(21<,4<)}=?6
** ?m[n] (m=6,n=2)
\end{verbatim}
@@ -489,12 +491,9 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
\begin{verbatim}
/ : group start single bond
-/_ : methyl
-/! : ethyl
-/!2 : propyl
-/?! : isopropyl
-/??! : tert-butyl
-/Ph : phenyl
+/_ : methyl /! : ethyl
+/!2 : propyl /?! : isopropyl
+/??! : tert-butyl /Ph : phenyl
<30,!,/_,!2,/!,!2,/!2,!4,/?!,
!4,/??!,!2,/Ph^-60,!