vermouth.rcsu package

Submodules

• vermouth.rcsu.contact_map module
  • GenerateContactMap
    • GenerateContactMap.run_molecule()
    • GenerateContactMap.run_system()
  • atom2res()
  • do_contacts()
  • make_atom_map()
  • read_go_map()
• vermouth.rcsu.go_pipeline module
  • GoProcessorPipeline
    • GoProcessorPipeline.prepare_run()
    • GoProcessorPipeline.run_system()
• vermouth.rcsu.go_structure_bias module
  • ComputeStructuralGoBias
    • ComputeStructuralGoBias.compute_go_interaction()
    • ComputeStructuralGoBias.contact_selector()
    • ComputeStructuralGoBias.run_molecule()
    • ComputeStructuralGoBias.run_system()
• vermouth.rcsu.go_utils module
  • get_go_type_from_attributes()
• vermouth.rcsu.go_vs_includes module
  • VirtualSiteCreator
    • VirtualSiteCreator.add_virtual_sites()
    • VirtualSiteCreator.run_molecule()
    • VirtualSiteCreator.run_system()

Module contents