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-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex109
1 files changed, 53 insertions, 56 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index db265456303..8c50cf9dc56 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -530,7 +530,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
inset hetero atom and substituent
simultaneously
- <30,!2,NH,!,SO,!,SOO,!3
+ <30,!2,NH,!,SO,!,SOO,!
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -548,10 +548,10 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
%-----------------------------------------------------------------------------
\subsubsection{Make block}
\begin{verbatim}
- { : start brock
- } : end brock
+ |< : start brock
+ >| : end brock
- <30,!2,{,``1.2,!2,},!2
+ <30,!2,|<,``1.2,!2,>|,!2
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1120,12 +1120,12 @@ endfont
\begin{verbatim}
label:
sw_label=0: emulation mode
- sw_label=1: metapost mode
+ sw_label=1: plain.mp mode
**default sw_label=0
drawarrow & drawdblarrow:
sw_arrow=0: emulation mode
- sw_arrow=1: metapost mode
+ sw_arrow=1: plain.mp mode
**default sw_arrow=0
\end{verbatim}
%-----------------------------------------------------------------------------
@@ -1276,7 +1276,7 @@ drawarrow & drawdblarrow:
%-----------------------------------------------------------------------------
\subsection{Paclitaxel}
\begin{verbatim}
- ?6,5=d,3*,{,``1,36,45,45,45,45,},&#5,
+ ?6,5=d,3*,|<,``1,36,45,45,45,45,>|,&#5,
-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
@(4^35,4^-35,6)/_,@(3^-60,15)*/OH,
8:/*H^-60,9:*/_^60,10://O,
@@ -1425,55 +1425,52 @@ cFM : molecular formula calculated
\end{verbatim}
\paragraph{(Output)}
\begin{verbatim}
-%------------------------------------------------------------------
-% Molecular name = Caffeine
-% Warnings = 0 / Expanded command = 80
-% Width * Height = 54.31772 * 50.43338
-% Shift width * height = -12.59462 * -17.49146
-% Bond length = 12.75589 Atom size = 5.38914
-% 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 , -1.371 ) C 1 3
-% A11 ( -0.776 , 1.448 ) C 1 3
-% A12 ( -0.776 , -0.448 ) O 2
-% A13 ( 0.866 , 2.371 ) O 2
-% A14 ( 2.955 , 2.147 ) C 1 3
-%------------------------------------------------------------------
-%< NO. >< bond (sdt)><angle + ( +- )><length ( pt )>
-% B1 1 -> 2 ( 1) 330 ( -30) 1 ( 12.76)
-% B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76)
-% B3 3 -> 4 ( 2) 90 ( 90) 1 ( 12.76)
-% B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76)
-% B5 5 -> 6 ( 1) 210 ( -150) 1 ( 12.76)
-% B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76)
-% B7 3 -> 7 ( 1) 342 ( -18) 1 ( 12.76)
-% B8 7 -> 8 ( 2) 54 ( 54) 1 ( 12.76)
-% B9 8 -> 9 ( 1) 126 ( 126) 1 ( 12.76)
-% B10 9 -> 4 ( 1) 198 ( -162) 0.66 ( 8.42)
-% B11 2 -> 10 ( 1) 270 ( -90) 0.66 ( 8.42)
-% B12 6 -> 11 ( 1) 150 ( 150) 0.66 ( 8.42)
-% B13 1 -> 12 ( 2) 210 ( -150) 0.66 ( 8.42)
-% B14 5 -> 13 ( 2) 90 ( 90) 0.66 ( 8.42)
-% B15 9 -> 14 ( 1) 72 ( 72) 0.66 ( 8.42)
-%------------------------------------------------------------------
-% C ( 12.0107) * 8 = 96.08557
-% H ( 1.00793) * 10 = 10.07935
-% N ( 14.0067) * 4 = 56.0268
-% O ( 15.9994) * 2 = 31.99881
-% Monoisotopic mass: 194.08038
-% Weight Calc: 194.1905 / Input: 194.194 / weight gap= -0.00348
-% Fomula Calc: C8H10N4O2 / Input:
-%==================================================================
+------------------------------------------------------------------
+ Molecular name = Nicotine
+ Warnings = 0 / Expanded command = 40
+ Width * Height = 49.57332 * 41.37605
+ Shift width * height = 0 * -9.07253
+ Bond length = 12.75589 Atom size = 5.38914
+ Atom count= 12 Bond count= 13 Ring count= 2 Hide H count= 14
+------------------------------------------------------------------
+< NO. >( x axis , y axis )< atom >< bond >< hide_H >
+ A1 ( 0 , 0 ) C 3 1
+ A2 ( 0.866 , -0.5 ) N 3
+ A3 ( 1.732 , 0 ) C 3 1
+ A4 ( 1.732 , 1 ) C 4
+ A5 ( 0.866 , 1.5 ) C 3 1
+ A6 ( 0 , 1 ) C 3 1
+ A7 ( 2.304 , 1.33 ) C 3 1
+ A8 ( 3.217 , 0.923 ) N 3
+ A9 ( 3.886 , 1.666 ) C 2 2
+ A10 ( 3.386 , 2.532 ) C 2 2
+ A11 ( 2.408 , 2.325 ) C 2 2
+ A12 ( 3.399 , 0.067 ) C 1 3
+------------------------------------------------------------------
+< NO. >< bond (sdt)><angle + ( +- )><length ( pt )>
+ B1 1 -> 2 ( 2) 330 ( -30) 1 ( 12.76)
+ B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76)
+ B3 3 -> 4 ( 2) 90 ( 90) 1 ( 12.76)
+ B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76)
+ B5 5 -> 6 ( 2) 210 ( -150) 1 ( 12.76)
+ B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76)
+ B7 4 -> 7 ( 1) 30 ( 30) 0.66 ( 8.42)
+ B8 7 -> 8 ( 1) 336 ( -24) 1 ( 12.76)
+ B9 8 -> 9 ( 1) 48 ( 48) 1 ( 12.76)
+ B10 9 -> 10 ( 1) 120 ( 120) 1 ( 12.76)
+ B11 10 -> 11 ( 1) 192 ( -168) 1 ( 12.76)
+ B12 11 -> 7 ( 1) 264 ( -96) 1 ( 12.76)
+ B13 8 -> 12 ( 1) 282 ( -78) 0.66 ( 8.42)
+------------------------------------------------------------------
+<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ]
+ C ( 12.0107)[ 12] * 10 = 120.10696[ 120]
+ H ( 1.00793)[ 1.00783] * 14 = 14.11108[ 14.10959]
+ N ( 14.0067)[ 14.00307] * 2 = 28.0134[ 28.00613]
+ Molecular Weight [Mono Isotopic] = 162.2314[ 162.11572]
+------------------------------------------------------------------
+ Weight Calc: 162.2314 / Input: 162.23 / weight gap= 0.00145
+ Fomula Calc: C10H14N2 / Input:
+==================================================================
\end{verbatim}%
\newpage
%------------------------------------------------------------------------