Search Results for "molecular"
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Showing 3 open source projects for "molecular"
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Bio.B-Gen
Initial system (box) generator for biological molecular simulations
...Then, optionally, "Bio.B-Gen" resolves overlaps between molecules in the system and saves the new molecular configuration. By running "Bio.B-Gen" multiple times for different molecular species and spacial domains quite complex initial systems can be generated. After the system is generated and all the overlaps are resolved an short GROMACS simulation run (10-20 ps) is usually required to ensure proper relaxation of the system. -
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bc2ld is a command line tool to translate molecular database files from BASECOL (obs. of Paris) to LAMDA format (Leiden University). This command line tool has academic use purposes.
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