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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.


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Tools for running and analysing Brownian dynamics simulations with BD_BOX

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