Added prefix 'mm_'
@ -5,7 +5,7 @@ cmake_policy(SET CMP0011 NEW)
|
||||
cmake_policy(SET CMP0015 NEW)
|
||||
|
||||
# set project name
|
||||
set (PROJECT agl)
|
||||
set (PROJECT mm_agl)
|
||||
# set additional cmake file
|
||||
include (${PROJECT}.cmake)
|
||||
|
@ -1,9 +1,9 @@
|
||||
agl - program that creates PDB file with chosen aglomerate
|
||||
mm_agl - program that creates PDB file with chosen aglomerate
|
||||
Version: 1.0.1
|
||||
License: GPL
|
||||
|
||||
Usage:
|
||||
agl -a FILENAME -i FILENAME -c X,Y,Z -o FILEMANE [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
mm_agl -a FILENAME -i FILENAME -c X,Y,Z -o FILEMANE [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
|
||||
Parametrs:
|
||||
-a - input file with aglomerates (in format statgen)
|
Before Width: | Height: | Size: 3.4 KiB After Width: | Height: | Size: 3.4 KiB |
@ -26,7 +26,7 @@ DOXYFILE_ENCODING = UTF-8
|
||||
# identify the project. Note that if you do not use Doxywizard you need
|
||||
# to put quotes around the project name if it contains spaces.
|
||||
|
||||
PROJECT_NAME = agl
|
||||
PROJECT_NAME = mm_agl
|
||||
|
||||
# The PROJECT_NUMBER tag can be used to enter a project or revision number.
|
||||
# This could be handy for archiving the generated documentation or
|
@ -2,7 +2,7 @@
|
||||
* @file
|
||||
*/
|
||||
/**
|
||||
* @mainpage agl
|
||||
* @mainpage mm_agl
|
||||
* @image latex ./logo.png
|
||||
*
|
||||
* @section intro_sec Introduction
|
||||
@ -24,7 +24,7 @@
|
||||
* @section How-To-Use How to use
|
||||
* Usage:
|
||||
* <pre>
|
||||
* agl -a AGL_INP -i INPUT -c X,Y,Z -o OUTPUT [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
* mm_agl -a AGL_INP -i INPUT -c X,Y,Z -o OUTPUT [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
*
|
||||
* Parametrs:
|
||||
* -a - input file with aglomerates (in format statgen)
|
||||
@ -39,7 +39,7 @@
|
||||
* @page Install
|
||||
*
|
||||
* @section Requirements Requirements
|
||||
* The application agl requires the following external stuff:
|
||||
* The application mm_agl requires the following external stuff:
|
||||
* - cmake >= 2.8
|
||||
* - gcc >= 4.8
|
||||
*
|
||||
@ -126,13 +126,13 @@ int main(int argc, char *argv[])
|
||||
{
|
||||
if ((argv[i][0] == '-') && (argv[i][1] == 'h') && (argv[i][2] == '\0'))
|
||||
{
|
||||
sprintf (tmp_str, " agl\n");
|
||||
sprintf (tmp_str, " mm_agl\n");
|
||||
sprintf (tmp_str, "%sProgram for create PDB file with chosen aglomerate\n", tmp_str);
|
||||
sprintf (tmp_str, "%sVersion : 1.0.1 License : GPL\n", tmp_str);
|
||||
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
|
||||
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%sUsage:\n", tmp_str);
|
||||
sprintf (tmp_str, "%sagl -a AGL_INP -i INPUT -c X,Y,Z -o OUTPUT [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%smm_agl -a AGL_INP -i INPUT -c X,Y,Z -o OUTPUT [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%sParametrs:\n", tmp_str);
|
||||
sprintf (tmp_str, "%s -a - input file with aglomerates (in format statgen)\n", tmp_str);
|
||||
sprintf (tmp_str, "%s -i - input file with coordinates\n", tmp_str);
|
@ -5,7 +5,7 @@ cmake_policy(SET CMP0011 NEW)
|
||||
cmake_policy(SET CMP0015 NEW)
|
||||
|
||||
# set project name
|
||||
set (PROJECT envir)
|
||||
set (PROJECT mm_envir)
|
||||
# set additional cmake file
|
||||
include (${PROJECT}.cmake)
|
||||
|
@ -1,10 +1,10 @@
|
||||
envir - program that searchs environment for chosen molecule by geometric criterion
|
||||
mm_envir - program that searchs environment for chosen molecule by geometric criterion
|
||||
Version: 1.0.1
|
||||
License: GPL
|
||||
|
||||
Usage:
|
||||
envir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]
|
||||
[ -l LOGFILE ] [ -q ] [ -h ]
|
||||
mm_envir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]
|
||||
[ -l LOGFILE ] [ -q ] [ -h ]
|
||||
|
||||
Parametrs:
|
||||
-i - input file with coordinates
|
Before Width: | Height: | Size: 3.4 KiB After Width: | Height: | Size: 3.4 KiB |
@ -26,7 +26,7 @@ DOXYFILE_ENCODING = UTF-8
|
||||
# identify the project. Note that if you do not use Doxywizard you need
|
||||
# to put quotes around the project name if it contains spaces.
|
||||
|
||||
PROJECT_NAME = envir
|
||||
PROJECT_NAME = mm_envir
|
||||
|
||||
# The PROJECT_NUMBER tag can be used to enter a project or revision number.
|
||||
# This could be handy for archiving the generated documentation or
|
@ -2,7 +2,7 @@
|
||||
* @file
|
||||
*/
|
||||
/**
|
||||
* @mainpage envir
|
||||
* @mainpage mm_envir
|
||||
* @image latex ./logo.png
|
||||
*
|
||||
* @section intro_sec Introduction
|
||||
@ -24,7 +24,7 @@
|
||||
* @section How-To-Use How to use
|
||||
* Usage:
|
||||
* <pre>
|
||||
* envir -i INPUT -c X,Y,Z -o OUTPUT [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]
|
||||
* mm_envir -i INPUT -c X,Y,Z -o OUTPUT [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]
|
||||
* [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
*
|
||||
* Parametrs:
|
||||
@ -41,7 +41,7 @@
|
||||
* @page Install
|
||||
*
|
||||
* @section Requirements Requirements
|
||||
* The application envir requires the following external stuff:
|
||||
* The application mm_envir requires the following external stuff:
|
||||
* - cmake >= 2.8
|
||||
* - gcc >= 4.8
|
||||
*
|
||||
@ -128,14 +128,14 @@ int main(int argc, char *argv[])
|
||||
{
|
||||
if ((argv[i][0] == '-') && (argv[i][1] == 'h') && (argv[i][2] == '\0'))
|
||||
{
|
||||
sprintf (tmp_str, " envir\n");
|
||||
sprintf (tmp_str, " mm_envir\n");
|
||||
sprintf (tmp_str, "%sProgram for search environment for chosen molecule by geometric criterion\n", tmp_str);
|
||||
sprintf (tmp_str, "%sVersion : 1.0.1 License : GPL\n", tmp_str);
|
||||
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
|
||||
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%sUsage:\n", tmp_str);
|
||||
sprintf (tmp_str, "%senvir -i INPUT -c X,Y,Z -o OUTPUT [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]\n", tmp_str);
|
||||
sprintf (tmp_str, "%s [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%smm_envir -i INPUT -c X,Y,Z -o OUTPUT [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]\n", tmp_str);
|
||||
sprintf (tmp_str, "%s [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%sParametrs:\n", tmp_str);
|
||||
sprintf (tmp_str, "%s -i - input file name\n", tmp_str);
|
||||
sprintf (tmp_str, "%s -c - cell size (float), A\n", tmp_str);
|
@ -5,7 +5,7 @@ cmake_policy(SET CMP0011 NEW)
|
||||
cmake_policy(SET CMP0015 NEW)
|
||||
|
||||
# set project name
|
||||
set (PROJECT radf)
|
||||
set (PROJECT mm_radf)
|
||||
# set additional cmake file
|
||||
include (${PROJECT}.cmake)
|
||||
|
@ -1,11 +1,11 @@
|
||||
radf - program that calculates radial distribution function (RDF) or radial-angles
|
||||
mm_radf - program that calculates radial distribution function (RDF) or radial-angles
|
||||
distribution function
|
||||
Version : 1.0.1
|
||||
License : GPL
|
||||
|
||||
Usage:
|
||||
radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
|
||||
[ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
|
||||
[ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
|
||||
Parametrs:
|
||||
-i - mask of input files
|
Before Width: | Height: | Size: 3.4 KiB After Width: | Height: | Size: 3.4 KiB |
@ -26,7 +26,7 @@ DOXYFILE_ENCODING = UTF-8
|
||||
# identify the project. Note that if you do not use Doxywizard you need
|
||||
# to put quotes around the project name if it contains spaces.
|
||||
|
||||
PROJECT_NAME = radf
|
||||
PROJECT_NAME = mm_radf
|
||||
|
||||
# The PROJECT_NUMBER tag can be used to enter a project or revision number.
|
||||
# This could be handy for archiving the generated documentation or
|
@ -2,7 +2,7 @@
|
||||
* @file
|
||||
*/
|
||||
/**
|
||||
* @mainpage radf
|
||||
* @mainpage mm_radf
|
||||
* @image latex ./logo.png
|
||||
*
|
||||
* @section intro_sec Introduction
|
||||
@ -25,8 +25,8 @@
|
||||
* @section How-To-Use How to use
|
||||
* Usage:
|
||||
* <pre>
|
||||
* radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
|
||||
* [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
* mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]
|
||||
* [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
* Parametrs:
|
||||
* -i - mask of input files
|
||||
* -s - trajectory steps (integer)
|
||||
@ -48,7 +48,7 @@
|
||||
* @page Install
|
||||
*
|
||||
* @section Requirements Requirements
|
||||
* The application radf requires the following external stuff:
|
||||
* The application mm_radf requires the following external stuff:
|
||||
* - cmake >= 2.8
|
||||
* - gcc >= 4.8
|
||||
*
|
||||
@ -144,15 +144,15 @@ int main(int argc, char *argv[])
|
||||
{
|
||||
if ((argv[i][0] == '-') && (argv[i][1] == 'h') && (argv[i][2] == '\0'))
|
||||
{
|
||||
sprintf (tmp_str, " radf\n");
|
||||
sprintf (tmp_str, " mm_radf\n");
|
||||
sprintf (tmp_str, "%sProgram that calculates radial distribution function (RDF) or radial-angles\n", tmp_str);
|
||||
sprintf (tmp_str, "%sdistribution function\n", tmp_str);
|
||||
sprintf (tmp_str, "%sVersion : 1.0.1 License : GPL\n", tmp_str);
|
||||
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
|
||||
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%sUsage:\n", tmp_str);
|
||||
sprintf (tmp_str, "%sradf -i INPUT -s FIRST,LAST -c X,Y,Z -at ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]\n", tmp_str);
|
||||
sprintf (tmp_str, "%s [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%smm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -at ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ]\n", tmp_str);
|
||||
sprintf (tmp_str, "%s [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%sParametrs:\n", tmp_str);
|
||||
sprintf (tmp_str, "%s -i - mask of input files\n", tmp_str);
|
||||
sprintf (tmp_str, "%s -s - trajectory steps (integer)\n", tmp_str);
|
@ -5,7 +5,7 @@ cmake_policy(SET CMP0011 NEW)
|
||||
cmake_policy(SET CMP0015 NEW)
|
||||
|
||||
# set project name
|
||||
set (PROJECT statgen)
|
||||
set (PROJECT mm_statgen)
|
||||
# set additional cmake file
|
||||
include (${PROJECT}.cmake)
|
||||
|
@ -1,10 +1,10 @@
|
||||
statgen - program that analyzes molecular dynamic trajectories using topological analysis
|
||||
mm_statgen - program that analyzes molecular dynamic trajectories using topological analysis
|
||||
Version: 1.0.1
|
||||
License: GPL
|
||||
|
||||
Usage:
|
||||
statgen -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -r ... -o OUTPUT [ -g DEPTH ]
|
||||
[ -l LOGFILE ] [ -q ] [ -h ]
|
||||
mm_statgen -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -r ... -o OUTPUT [ -g DEPTH ]
|
||||
[ -l LOGFILE ] [ -q ] [ -h ]
|
||||
|
||||
Parametrs:
|
||||
-i - mask of input files
|
Before Width: | Height: | Size: 3.4 KiB After Width: | Height: | Size: 3.4 KiB |
@ -26,7 +26,7 @@ DOXYFILE_ENCODING = UTF-8
|
||||
# identify the project. Note that if you do not use Doxywizard you need
|
||||
# to put quotes around the project name if it contains spaces.
|
||||
|
||||
PROJECT_NAME = statgen
|
||||
PROJECT_NAME = mm_statgen
|
||||
|
||||
# The PROJECT_NUMBER tag can be used to enter a project or revision number.
|
||||
# This could be handy for archiving the generated documentation or
|
@ -2,7 +2,7 @@
|
||||
* @file
|
||||
*/
|
||||
/**
|
||||
* @mainpage statgen
|
||||
* @mainpage mm_statgen
|
||||
* @image latex ./logo.png
|
||||
*
|
||||
* @section intro_sec Introduction
|
||||
@ -24,8 +24,8 @@
|
||||
* @section How-To-Use How to use
|
||||
* Usage:
|
||||
* <pre>
|
||||
* statgen -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -r ... -o OUTPUT [ -g DEPTH ]
|
||||
* [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
* mm_statgen -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -r ... -o OUTPUT [ -g DEPTH ]
|
||||
* [ -l LOGFILE ] [ -q ] [ -h ]
|
||||
*
|
||||
* Parametrs:
|
||||
* -i - mask of input files
|
||||
@ -44,7 +44,7 @@
|
||||
* @page Install
|
||||
*
|
||||
* @section Requirements Requirements
|
||||
* The application statgen requires the following external stuff:
|
||||
* The application mm_statgen requires the following external stuff:
|
||||
* - cmake >= 2.8
|
||||
* - gcc >= 4.8
|
||||
*
|
||||
@ -160,14 +160,14 @@ int main (int argc, char *argv[])
|
||||
{
|
||||
if ((argv[i][0] == '-') && (argv[i][1] == 'h') && (argv[i][2] == '\0'))
|
||||
{
|
||||
sprintf (tmp_str, " statgen\n");
|
||||
sprintf (tmp_str, " mm_statgen\n");
|
||||
sprintf (tmp_str, "%sProgram for analyze molecular dynamic trajectories\n", tmp_str);
|
||||
sprintf (tmp_str, "%sVersion : 1.0.1 License : GPL\n", tmp_str);
|
||||
sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
|
||||
sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%sUsage:\n", tmp_str);
|
||||
sprintf (tmp_str, "%sstatgen -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -r ... -o OUTPUT [ -g DEPTH ]\n", tmp_str);
|
||||
sprintf (tmp_str, "%s [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%smm_statgen -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -r ... -o OUTPUT [ -g DEPTH ]\n", tmp_str);
|
||||
sprintf (tmp_str, "%s [ -l LOGFILE ] [ -q ] [ -h ]\n\n", tmp_str);
|
||||
sprintf (tmp_str, "%sParametrs:\n", tmp_str);
|
||||
sprintf (tmp_str, "%s -i - mask of input files\n", tmp_str);
|
||||
sprintf (tmp_str, "%s -s - trajectory steps (integer)\n", tmp_str);
|