GitHub - modsim/redicon-tools: Tools for running and analysing Brownian dynamics simulations with BD

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Tools for running and analysing Brownian dynamics simulations with BD_BOX

GPL-3.0 license

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Name		Name	Last commit message	Last commit date
Latest commit History 134 Commits
contrib		contrib
lib		lib
m4		m4
scripts		scripts
tools		tools
AUTHORS		AUTHORS
COPYING		COPYING
ChangeLog		ChangeLog
INSTALL		INSTALL
Makefile.am		Makefile.am
Makefile.in		Makefile.in
NEWS		NEWS
README		README
aclocal.m4		aclocal.m4
config.guess		config.guess
config.h.in		config.h.in
config.sub		config.sub
configure		configure
configure.ac		configure.ac
depcomp		depcomp
install-sh		install-sh
ltmain.sh		ltmain.sh
missing		missing

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BCP Tool is a set of tools for running and analysing Brownian Dynamics Simulations with BD_BOX. What means BCP has been forgotten.

This library is a part of REDICON, REaction DIffusion systems via DIscrete-CONtinuous modelling (name proposed by Olav Zimmermann)

BCP Tools consist of 

1. A library that can read PDB files, create molecules etc. 

Examples of its use can be found in test files in the corresponding tests/ directories and in tools/ directory.

2. A few programs (molb2dat, pdb2str, molsys-create) which use this library. Run these programs with --help option to see a help message and usage information.

3. A few python scripts (in tools/) and a bash script (scripts/bdbox-xyz) to analyse the simulations results. Use --help option for help/usage messages.

4. A few bash scripts for running/queueing BD_BOX software on a cluster (scripts/). Use --help option to get help.