Search Results for "molecule"
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Showing 2 open source projects for "molecule"
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Ansible Molecule
Molecule aids in the development and testing of Ansible roles
Molecule project is designed to aid in the development and testing of Ansible roles. Molecule provides support for testing with multiple instances, operating systems and distributions, virtualization providers, test frameworks and testing scenarios. Molecule encourages an approach that results in consistently developed roles that are well-written, easily understood and maintained. -
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Bio.B-Gen
Initial system (box) generator for biological molecular simulations
..."Bio.B-Gen" depends on the GROMACS topology and force field information (.top and .itp data files) during the generation stage. "Bio.B-Gen" adds specified number of copies of a molecule to an existing configuration to a specified spacial domain inside the system, such as a sphere, cube, spherical shell, layer, etc. 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. ...
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