diff options
Diffstat (limited to 'graphics/mcf2graph/mcf_manual.tex')
-rw-r--r-- | graphics/mcf2graph/mcf_manual.tex | 40 |
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% |