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.tex84
1 files changed, 43 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 04ee963c93e..03b78cd584e 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 2016.11.05
+% Molecular Coding Format manual by Akira Yamaji 2016.11.15
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%%\usepackage{graphicx}
@@ -1198,52 +1198,54 @@ MW : molecular weight from literature data
\end{verbatim}
\paragraph{(Output)}
\begin{verbatim}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular name = Caffeine
-% There were 0 warnings / Expanded command count= 75
-% width * height = 39.54677 * 36.84769
-% Shift width * height = -9.33592 * -12.77518
-% Bond length = 9.23628 Atom size = 4.12209
-% Atom count= 14 Bond count= 15 Ring count= 2 Hide H = 10
-%-----------------------------------< atom >< bond >-------
-% 1 ( 0 ) ( 0 ) C 4
-% 2 ( 0.86603 ) ( -0.5 ) N 3
-% 3 ( 1.73206 ) ( 0 ) C 4
-% 4 ( 1.73206 ) ( 1 ) C 4
-% 5 ( 0.86603 ) ( 1.5 ) C 4
-% 6 ( 0 ) ( 1 ) N 3
-% 7 ( 2.6831 ) ( -0.30902 ) N 3
-% 8 ( 3.27089 ) ( 0.5 ) C 3
-% 9 ( 2.6831 ) ( 1.30902 ) N 3
-% 10 ( 0.86603 ) ( -1.38315 ) C 1
-% 11 ( -0.78764 ) ( 1.45474 ) C 1
-% 12 ( 2.95923 ) ( 2.15886 ) C 1
-% 13 ( -0.78764 ) ( -0.45474 ) O 2
-% 14 ( 0.86603 ) ( 2.38315 ) O 2
-%Bond list---------------------------------------------------------
-% 1 1 -> 2 ( 1)
-% 2 2 -> 3 ( 1)
-% 3 3 -> 4 ( 2)
-% 4 4 -> 5 ( 1)
-% 5 5 -> 6 ( 1)
-% 6 6 -> 1 ( 1)
-% 7 3 -> 7 ( 1)
-% 8 7 -> 8 ( 2)
-% 9 8 -> 9 ( 1)
-% 10 9 -> 4 ( 1)
-% 11 2 -> 10 ( 1)
-% 12 6 -> 11 ( 1)
-% 13 9 -> 12 ( 1)
-% 14 1 -> 13 ( 2)
-% 15 5 -> 14 ( 2)
-%Fomula / Molecular weight ---------------------------------------
+%------------------------------------------------------------------
+% Molecular name = Caffeine
+% Warnings = 0 / Expanded command = 75
+% Width * Height = 39.5496 * 36.85023
+% Shift width * height = -9.33653 * -12.77606
+% Bond length = 9.23695 Atom size = 4.12231
+% Atom count= 14 Bond count= 15 Ring count= 2 Hide H count= 10
+%------------------------------------------------------------------
+%< NO. >< x axis , y axis >< atom >< bond >< hide_H >
+% A1 ( 0 , 0 ) C 4
+% A2 ( 0.866 , -0.5 ) N 3
+% A3 ( 1.732 , 0 ) C 4
+% A4 ( 1.732 , 1 ) C 4
+% A5 ( 0.866 , 1.5 ) C 4
+% A6 ( 0 , 1 ) N 3
+% A7 ( 2.683 , -0.309 ) N 3
+% A8 ( 3.271 , 0.5 ) C 3 1
+% A9 ( 2.683 , 1.309 ) N 3
+% A10 ( 0.866 , -1.383 ) C 1 3
+% A11 ( -0.788 , 1.455 ) C 1 3
+% A12 ( 2.959 , 2.159 ) C 1 3
+% A13 ( -0.788 , -0.455 ) O 2
+% A14 ( 0.866 , 2.383 ) O 2
+%------------------------------------------------------------------
+%< NO. >< bond (sdt)><angle + ( +- )><length ( pt )>
+% B1 1 -> 2 ( 1) 330 ( -30) 1 ( 9.24)
+% B2 2 -> 3 ( 1) 30 ( 30) 1 ( 9.24)
+% B3 3 -> 4 ( 2) 90 ( 90) 1 ( 9.24)
+% B4 4 -> 5 ( 1) 150 ( 150) 1 ( 9.24)
+% B5 5 -> 6 ( 1) 210 ( -150) 1 ( 9.24)
+% B6 6 -> 1 ( 1) 270 ( -90) 1 ( 9.24)
+% B7 3 -> 7 ( 1) 342 ( -18) 1 ( 9.24)
+% B8 7 -> 8 ( 2) 54 ( 54) 1 ( 9.24)
+% B9 8 -> 9 ( 1) 126 ( 126) 1 ( 9.24)
+% B10 9 -> 4 ( 1) 198 ( -162) 0.66 ( 6.1)
+% B11 2 -> 10 ( 1) 270 ( -90) 0.66 ( 6.1)
+% B12 6 -> 11 ( 1) 150 ( 150) 0.66 ( 6.1)
+% B13 9 -> 12 ( 1) 72 ( 72) 0.66 ( 6.1)
+% B14 1 -> 13 ( 2) 210 ( -150) 0.66 ( 6.1)
+% B15 5 -> 14 ( 2) 90 ( 90) 0.66 ( 6.1)
+%------------------------------------------------------------------
% C ( 12.0107) * 8 = 96.08557
% H ( 1.00793) * 10 = 10.07935
% N ( 14.0067) * 4 = 56.0268
% O ( 15.9994) * 2 = 31.99881
% Weight Calc: 194.19052 / Input: 194.19 / weight gap= 0.00052
% Fomula Calc: C8H10N4O2 / Input: C8H10N4O2 / MACTCH
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%==================================================================
\end{verbatim}%
\newpage
%------------------------------------------------------------------------