mirror of
https://github.com/arcan1s/moldyn.git
synced 2025-06-28 06:41:42 +00:00
Added documentatiion in russian
This commit is contained in:
arcan1s
@ -1,6 +1,6 @@
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set ("PROJECT_VERSION_MAJOR" 1)
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set ("PROJECT_VERSION_MINOR" 0)
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set ("PROJECT_VERSION_PATCH" 3)
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set ("PROJECT_VERSION_MINOR" 1)
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set ("PROJECT_VERSION_PATCH" 0)
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set ("PROJECT_VERSION" ${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}.${PROJECT_VERSION_PATCH})
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message (STATUS "Version ${PROJECT_VERSION}")
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@ -2,7 +2,7 @@
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# Maintainer: Evgeniy "arcanis" Alexeev <esalexeev@gmail.com>
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pkgname=mathmech
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pkgver=1.0.3
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pkgver=1.1.0
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pkgrel=1
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pkgdesc="Software package for analysis of molecular dynamics trajectories"
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arch=(any)
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BIN
mathmech/README.doc
Normal file
BIN
mathmech/README.doc
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Binary file not shown.
@ -1,3 +1,3 @@
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Mathematical Molecular Mechanics is GUI for "mm" program pack
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Version: 1.0.3
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Version: 1.1.0
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License: GPL
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@ -29,7 +29,7 @@ p, li { white-space: pre-wrap; }
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</style></head><body style=" font-family:'Liberation Serif'; font-size:10pt; font-weight:400; font-style:normal;">
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<p align="center" style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Mathematical Molecular Mechanics</span></p>
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<p style="-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /></p>
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<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Version:</span> 1.0.3</p>
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<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Version:</span> 1.1.0</p>
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<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">License:</span> GPL</p>
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<p style="-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /></p>
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<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Author:</span> Evgeniy Alekseev</p>
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@ -29,7 +29,7 @@ p, li { white-space: pre-wrap; }
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</style></head><body style=" font-family:'Liberation Serif'; font-size:10pt; font-weight:400; font-style:normal;">
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<p align="center" style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Mathematical Molecular Mechanics</span></p>
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<p style="-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /></p>
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<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Версия:</span> 1.0.3</p>
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<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Версия:</span> 1.1.0</p>
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<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Лицензия:</span> GPL</p>
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<p style="-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><br /></p>
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<p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-weight:600;">Автор:</span> Evgeniy Alekseev</p>
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@ -1352,6 +1352,9 @@
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<property name="toolTip">
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<string>Number of steps of analysis</string>
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</property>
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<property name="alignment">
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<set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
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</property>
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<property name="minimum">
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<number>1</number>
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</property>
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@ -1,6 +1,6 @@
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<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE QtCreatorProject>
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<!-- Written by QtCreator 2.8.1, 2013-08-30T20:53:17. -->
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<!-- Written by QtCreator 2.8.1, 2013-09-02T16:20:54. -->
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<qtcreator>
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<data>
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<variable>ProjectExplorer.Project.ActiveTarget</variable>
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@ -1,5 +1,5 @@
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mm_agl - program that creates PDB file with chosen agglomerate
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Version: 1.0.3
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Version: 1.1.0
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License: GPL
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Usage:
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_agl
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# This could be handy for archiving the generated documentation or
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# if some version control system is used.
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PROJECT_NUMBER = V.1.0.3
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PROJECT_NUMBER = V.1.1.0
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# Using the PROJECT_BRIEF tag one can provide an optional one line description
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# for a project that appears at the top of each page and should give viewer
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Binary file not shown.
@ -134,7 +134,7 @@ int main(int argc, char *argv[])
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{
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sprintf (tmp_str, " mm_agl\n");
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sprintf (tmp_str, "%sProgram for create PDB file with chosen agglomerate\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
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sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
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sprintf (tmp_str, "%sUsage:\n", tmp_str);
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@ -1,5 +1,5 @@
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mm_envir - program that searchs environment for chosen molecule by geometric criterion
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Version: 1.0.3
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Version: 1.1.0
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License: GPL
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Usage:
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_envir
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# This could be handy for archiving the generated documentation or
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# if some version control system is used.
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PROJECT_NUMBER = V.1.0.3
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PROJECT_NUMBER = V.1.1.0
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# Using the PROJECT_BRIEF tag one can provide an optional one line description
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# for a project that appears at the top of each page and should give viewer
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Binary file not shown.
@ -136,7 +136,7 @@ int main(int argc, char *argv[])
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{
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sprintf (tmp_str, " mm_envir\n");
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sprintf (tmp_str, "%sProgram for search environment for chosen molecule by geometric criterion\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
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sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
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sprintf (tmp_str, "%sUsage:\n", tmp_str);
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@ -4,14 +4,14 @@ Version : 1.0.3
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License : GPL
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Usage:
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mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
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[ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
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mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -at ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
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[ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
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Parametrs:
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-i - mask of input files
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-s - trajectory steps (integer)
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-c - cell size (float), A
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-a - atom types (integer). Format: 'ATOM1-ATOM2' or 'A1,A2,A3-B1,B2,B3'
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-a5 - atom types (integer). Format: 'ATOM1-ATOM2' or 'A1,A2,A3-B1,B2,B3'
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(will enable RDF calculation for center mass automaticaly)
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-o - output file name
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-r - minimal and maximal radii for analyze (float), A. Default is '2.0,15.0'
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_radf
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# This could be handy for archiving the generated documentation or
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# if some version control system is used.
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PROJECT_NUMBER = V.1.0.3
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PROJECT_NUMBER = V.1.1.0
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# Using the PROJECT_BRIEF tag one can provide an optional one line description
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# for a project that appears at the top of each page and should give viewer
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Binary file not shown.
@ -127,7 +127,7 @@ int printing_head (const char *output, const int log, const int quiet, const int
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FILE *f_out;
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f_out = fopen (output, "w");
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fprintf (f_out, "radf ::: V.1.0.3\n\n");
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fprintf (f_out, "radf ::: V.1.1.0\n\n");
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fprintf (f_out, "CONFIGURATION\n");
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fprintf (f_out, "LOG=%i\nQUIET=%i\nMATRIX=%i\n", log, quiet, matrix);
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@ -25,13 +25,13 @@
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* @section How-To-Use How to use
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* Usage:
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* <pre>
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* mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
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* [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
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* mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -at ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
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* [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
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* Parametrs:
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* -i - mask of input files
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* -s - trajectory steps (integer)
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* -c - cell size (float), A
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* -a - atom types (integer). Format: 'ATOM1-ATOM2' or 'A1,A2,A3-B1,B2,B3'
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* -at - atom types (integer). Format: 'ATOM1-ATOM2' or 'A1,A2,A3-B1,B2,B3'
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* (will enable RDF calculation for center mass automaticaly)
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* -o - output file name
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* -r - minimal and maximal radii for analyze (float), A. Default is '2.0,15.0'
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@ -153,7 +153,7 @@ int main(int argc, char *argv[])
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sprintf (tmp_str, " mm_radf\n");
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sprintf (tmp_str, "%sProgram that calculates radial distribution function (RDF) or radial-angles\n", tmp_str);
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sprintf (tmp_str, "%sdistribution function\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
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sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
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sprintf (tmp_str, "%sUsage:\n", tmp_str);
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@ -1,5 +1,5 @@
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mm_statgen - program that analyzes molecular dynamic trajectories using topological analysis
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Version: 1.0.3
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Version: 1.1.0
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License: GPL
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Usage:
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_statgen
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# This could be handy for archiving the generated documentation or
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# if some version control system is used.
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PROJECT_NUMBER = V.1.0.3
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PROJECT_NUMBER = V.1.1.0
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# Using the PROJECT_BRIEF tag one can provide an optional one line description
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# for a project that appears at the top of each page and should give viewer
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Binary file not shown.
@ -92,7 +92,7 @@ int printing_head (const char *output, const int log, const int quiet,
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FILE *f_out;
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f_out = fopen (output, "w");
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fprintf (f_out, "statgen ::: V.1.0.3\n\n");
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fprintf (f_out, "statgen ::: V.1.1.0\n\n");
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fprintf (f_out, "CONFIGURATION\n");
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fprintf (f_out, "LOG=%i\nQUIET=%i\n", log, quiet);
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@ -168,7 +168,7 @@ int main (int argc, char *argv[])
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{
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sprintf (tmp_str, " mm_statgen\n");
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sprintf (tmp_str, "%sProgram for analyze molecular dynamic trajectories\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
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sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
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sprintf (tmp_str, "%sUsage:\n", tmp_str);
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@ -71,11 +71,11 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
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x = type_agl[0] + type_agl[1];
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type[0] = type_agl[0];
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type[1] = type_agl[1];
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fprintf (f_out, "LINEAR=%7.5f\nCYCLE=%7.5f\n--------------------\n", type[0]/x, type[1]/x);
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fprintf (f_out, "LINEAR=%.5f\nCYCLE=%.5f\n--------------------\n", type[0]/x, type[1]/x);
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// branched
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type[0] = type_agl[2];
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type[1] = type_agl[3];
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fprintf (f_out, "NOT BRANCHED=%7.5f\nBRANCHED=%7.5f\n--------------------\n", type[0]/x, type[1]/x);
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fprintf (f_out, "NOT BRANCHED=%.5f\nBRANCHED=%.5f\n--------------------\n", type[0]/x, type[1]/x);
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// n_cycle
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x = 0;
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for (i=4; i<max_depth+2; i++)
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@ -83,7 +83,7 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
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for (i=4; i<max_depth+2; i++)
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{
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type[0] = type_agl[i];
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fprintf (f_out, "CYCLE_'%2i'=%7.5f\n", i-1, type[0]/x);
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fprintf (f_out, "CYCLE_'%2i'=%.5f\n", i-1, type[0]/x);
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}
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}
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@ -3,8 +3,8 @@ Version : 1.0.3
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License : GPL
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Usage:
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mm_trj -i INPUT_TRJ -t INPUT_TYPE -s NUMBER -a INPUT_ATOMS -o OUTPUT [ -tt TOTAL_TYPES ]
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[ -l LOGFILE ] [ -q ] [ -h ]
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mm_trj -i INPUT_TRJ -t INPUT_TYPE -s NUMBER -a INPUT_ATOMS -o OUTPUT [ -tt TOTAL_TYPES ]
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[ -l LOGFILE ] [ -q ] [ -h ]
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Parametrs:
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-i - input file name
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_trj
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# This could be handy for archiving the generated documentation or
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# if some version control system is used.
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PROJECT_NUMBER = V.1.0.3
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PROJECT_NUMBER = V.1.1.0
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# Using the PROJECT_BRIEF tag one can provide an optional one line description
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# for a project that appears at the top of each page and should give viewer
|
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Binary file not shown.
@ -133,7 +133,7 @@ int main(int argc, char *argv[])
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{
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sprintf (tmp_str, " mm_trj\n");
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sprintf (tmp_str, "%sProgram that generates trajectory files\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
|
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sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
|
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sprintf (tmp_str, "%sUsage:\n", tmp_str);
|
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|
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@ -1,5 +1,5 @@
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mm_trj2pdb - program that creates PDB file from trajetory snapshot
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Version: 1.0.3
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Version: 1.1.0
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License: GPL
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|
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Usage:
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_trj2pdb
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# This could be handy for archiving the generated documentation or
|
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# if some version control system is used.
|
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|
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PROJECT_NUMBER = V.1.0.3
|
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PROJECT_NUMBER = V.1.1.0
|
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|
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# Using the PROJECT_BRIEF tag one can provide an optional one line description
|
||||
# for a project that appears at the top of each page and should give viewer
|
||||
|
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Binary file not shown.
@ -125,7 +125,7 @@ int main(int argc, char *argv[])
|
||||
{
|
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sprintf (tmp_str, " mm_trj2pdb\n");
|
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sprintf (tmp_str, "%sProgram for create PDB file from trajectory snapshot\n", tmp_str);
|
||||
sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str);
|
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sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
|
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sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
|
||||
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
|
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sprintf (tmp_str, "%sUsage:\n", tmp_str);
|
||||
|
||||
Reference in New Issue
Block a user