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-rw-r--r--graphics/mcf2graph/mcf_manual.tex36
1 files changed, 19 insertions, 17 deletions
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex
index e3aac3ed4b..ccfdd511ab 100644
--- a/graphics/mcf2graph/mcf_manual.tex
+++ b/graphics/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2022.05.08
+% Molecular Coding Format manual by Akira Yamaji 2022.06.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%\usepackage{graphicx}
@@ -1559,10 +1559,8 @@ bye
% first character of line "%" comment out
% first character of line "+" begin MCF
% first string of line "+-" end MCF
-% first string of line "%-" end header
% Cat = Category
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%------------------------------------------------------------------------------
Cat:biological;EN:Adenine;MW:135.13
+
<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
@@ -1620,39 +1618,43 @@ Cat:biological;EN:Stearic acid;MW:284.48
%
% "f:filename" : input file name (default "mcf_library.mcf")
% "o:filename" : output file name (default "temp.mcf")
-% "s:sort-key" : sort by sort-key
+%
+% "a:sort-key" : sort by sort-key ascending
+% "d:sort-key" : sort by sort-key descending
%
% operator : = , <> , <= , >= , < , >
%
% filter 1 : Cat=biological
% filter 2 : MW>=285
% filter 3 : MW<=295
+%
%--------------------------------------------------------------
-mc_query("s:EN","Cat=biological","MW>=285","MW<=295");
+mc_query("Cat=biological","MW>=285","MW<=290","a:EN");
%--------------------------------------------------------------
-forever:
- beginfigm("f:temp","v+:*") % use file temp.mcf / select all
- if f_EOF=0: if mc_check(mc)=0: MC(scantokens(mc)) fi fi
- endfigm
- exitif f_EOF=1;
-endfor
-%---------------------------------------------------------------
\end{verbatim}
%---------------------------------------------------------------
\paragraph{(output)}
\begin{verbatim}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% Input : mcf_library.mcf [506]
+% Output : temp.mcf [5]
+% Filter(1): Cat =biological
+% Filter(2): MW >= 285
+% Filter(3): MW <= 290
+% Sort key : EN (ascending)
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Cat:biological;EN:Atoropin;MW:289.375;EXA:1
+
-<30,O,!,//O,!,!,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv
+<30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv
+------------------------------------------------------------------------------
-Cat:biological;EN:Cianidanol;MW:290.27;EXA:1
+Cat:biological;EN:Luteolin;MW:286.24;EXA:-
+
-<30,Ph,3=?6,@8,*\,Ph,7:O,{1,5,13,14}:/OH,9:/*OH
+<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:/*H^180,10:*/H^60,13:*/OH,14:/*OH
+ {9'^180,10^60}:*/H,{13,14'}:*/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Morphine;MW:285.343;EXA:1
+
@@ -1661,7 +1663,7 @@ Cat:biological;EN:Morphine;MW:285.343;EXA:1
+------------------------------------------------------------------------------
Cat:biological;EN:Piperine;MW:285.343;EXA:1
+
-<30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N
+<30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,//O,!,?6,-6:N
+------------------------------------------------------------------------------
\end{verbatim}
%------------------------------------------------------------------------------