summaryrefslogtreecommitdiff
path: root/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
diff options
context:
space:
mode:
Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex103
1 files changed, 62 insertions, 41 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index a40f0331f2d..415adf1bf09 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.06.28
+% Molecular Coding Format manual by Akira Yamaji 2021.07.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[pdftex]{graphicx}
@@ -228,29 +228,20 @@ tm : triple
\index{wb}%
\index{zf}%
\index{zb}%
+\index{vf}%
+\index{vb}%
\begin{verbatim}
-(Wedge)
+(Wedge,Vector)
wf: wedge forward
wb: wedge backward
zf: hashed(zebra stripe) wedge foward
zb: hashed(zebra stripe) wedge backward
-
-<-30,!~wf,!,!~wb,!,!~zf,!,!~zb
-\end{verbatim}
-\MCFgraph
-\vspace{-3mm}%
-%-----------------------------------------------------------------------------
-%%\subsubsection{Vector}
-\index{vf}%
-\index{vb}%
-\begin{verbatim}
-
-(Vector)
vf:vector forward
vb:vector backward
-<-30,!~vf,!,!~vb
+<-30,
+ !~wf,!,!~wb,!,!~zf,!,!~zb,!,!~vf,!~vb
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
@@ -264,25 +255,14 @@ vb:vector backward
(Dotted,wave)
Bn=bond type : change bond type at Bn
-dt : dotted
-wv : wave
-bd : broad
-bz : broad dotted
+dt : dotted / wv : wave
+bd : broad / bz : broad dotted
<-30,!7,1=dt,3=wv,5=bd,7=bz
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
%-----------------------------------------------------------------------------
-\subsubsection{Change multiple bond type}
-\index{vf}%
-\begin{verbatim}
-{2,4,6}=dr : 2=dr,4=dr,6=dr
-
-<30,!7,{2,4,6}=dr
-\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
\subsubsection{Over line}
\index{si\_}%
\index{wf\_}%
@@ -310,6 +290,30 @@ dm_ : duble over line
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
+\subsubsection{Steric ring}
+\index{wf\_r}%
+\index{wb\_r}%
+\index{bd\_r}%
+\begin{verbatim}
+wf_r : wedge foward (half width)
+bd_r : broad (half width, rounded)
+wb_r : wedge backward (half width)
+
+#1.25,-30~wf_r,30~bd_r`1,30~wb_r,
+ 120,O,30,&1,##,6^$90:/!OH`-.5,
+ {1^$-90,2^$90,3^$-90,4^$90}:/OH`-.5,
+\end{verbatim}
+\MCFgraph
+%-----------------------------------------------------------------------------
+\subsubsection{Change multiple bond type}
+\index{vf}%
+\begin{verbatim}
+{2,4,6}=dr : 2=dr,4=dr,6=dr
+
+<30,!7,{2,4,6}=dr
+\end{verbatim}
+\MCFgraph
+%-----------------------------------------------------------------------------
\subsection{Change bond length}
\subsubsection{Chain length}
\index{`}%
@@ -401,9 +405,13 @@ p_ : positive / n_ : negative
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
+\newpage
+%-----------------------------------------------------------------------------
\subsection{Fuse ring}
-\subsubsection{Attached 1 bond}
+%%%\subsubsection{Attached 1 bond}
\begin{verbatim}
+(Attached 1 bond)
+
?6,3=?6 : fuse ?6 at B3
** Bn(n:-999<=n<=4095): bond number
@@ -434,8 +442,10 @@ attached bond length
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsubsection{Attached 2 bond}
+%%%\subsubsection{Attached 2 bond}
\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
@@ -450,8 +460,10 @@ attached bond length
\begin{verbatim}
\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Attached 3 bond}
+%%%\subsubsection{Attached 3 bond}
\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
** ?m[n] (5<=m<=6,n=m-3)
@@ -464,8 +476,10 @@ attached bond length
\begin{verbatim}
\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Attached 4 bond}
+%%%%\subsubsection{Attached 4 bond}
\begin{verbatim}
+(Attached 4 bond)
+
(21,4)=?6[2] : fuse 2/6 ring to B21..B4
MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
@@ -474,7 +488,7 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsubsection{Spiro ring}
+\subsection{Spiro ring}
\begin{verbatim}
@4,?5 : add ?5 at A4
@@ -487,13 +501,17 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
\index{/}%
\index{Ph}%
\begin{verbatim}
-/ : single
-<-30,!,/_,!,/!,!3,/!2,!,/?!,
- !3,/??!,!,/Ph^-30,!
+/ : 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,!
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -532,7 +550,7 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
\subsubsection{Add group}
\begin{verbatim}
<30,!17,2:/_,4:/!,6:/!2,
-10:/?!,14:/??!,16:/Ph^-60
+ 10:/?!,14:/??!,16:/Ph^-60
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -552,6 +570,8 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
+\newpage
+%-----------------------------------------------------------------------------
\subsection{Chain environment}
\subsubsection{Horizontal,vertical}
\index{hz}%
@@ -600,6 +620,7 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
+\newpage
\subsection{Miscellaneous}
%-----------------------------------------------------------------------------
\subsubsection{Abbreviated parts}
@@ -657,7 +678,7 @@ MC(<30,?6,{4,6}:/iBuOH)
\index{--}%
\begin{verbatim}
6--10 : 6,7,8,9,10
-<30,!14,{2,6--10,14}:/_~bd`0.5
+<30,!14,{2,6--10,14}:/_~bd_r`0.5
\end{verbatim}
\MCFgraph
\newpage