diff options
Diffstat (limited to 'graphics/mcf2graph/mcf_manual.tex')
-rw-r--r-- | graphics/mcf2graph/mcf_manual.tex | 29 |
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,! |