cosolvkit

• CosolvKit
  • Submodules
  • cosolvkit.analysis module
    • Analysis
      • Analysis.atomic_grid_free_energy()
      • Analysis.export_atomic_grid_free_energy()
      • Analysis.export_density()
      • Analysis.export_histogram()
    • Report
      • Report.generate_density_maps()
      • Report.generate_pymol_reports()
      • Report.generate_report()
  • cosolvkit.config module
    • Config
      • Config.from_config()
      • Config.get_defaults_dict()
  • cosolvkit.cosolvent_system module
    • CosolventMembraneSystem
      • CosolventMembraneSystem.add_membrane()
      • CosolventMembraneSystem.build()
    • CosolventMolecule
    • CosolventSystem
      • CosolventSystem.accept_reject()
      • CosolventSystem.add_cosolvents()
      • CosolventSystem.add_cosolvents_adaptive()
      • CosolventSystem.add_repulsive_forces()
      • CosolventSystem.build()
      • CosolventSystem.calculate_mol_volume()
      • CosolventSystem.check_coordinates_to_add()
      • CosolventSystem.cubic_nanometers_to_liters()
      • CosolventSystem.delete_edges_points()
      • CosolventSystem.fitting_checks()
      • CosolventSystem.generate_rotation()
      • CosolventSystem.is_in_box()
      • CosolventSystem.liters_to_cubic_nanometers()
      • CosolventSystem.load_system()
      • CosolventSystem.local_search()
      • CosolventSystem.reduce_copies()
      • CosolventSystem.save_pdb()
      • CosolventSystem.save_system()
      • CosolventSystem.save_topology()
  • cosolvkit.simulation module
    • run_simulation()
  • cosolvkit.utils module
    • MutuallyExclusiveParametersError
    • add_variants()
    • fix_pdb()
  • Module contents
    • CosolventMolecule
    • CosolventSystem
      • CosolventSystem.accept_reject()
      • CosolventSystem.add_cosolvents()
      • CosolventSystem.add_cosolvents_adaptive()
      • CosolventSystem.add_repulsive_forces()
      • CosolventSystem.build()
      • CosolventSystem.calculate_mol_volume()
      • CosolventSystem.check_coordinates_to_add()
      • CosolventSystem.cubic_nanometers_to_liters()
      • CosolventSystem.delete_edges_points()
      • CosolventSystem.fitting_checks()
      • CosolventSystem.generate_rotation()
      • CosolventSystem.is_in_box()
      • CosolventSystem.liters_to_cubic_nanometers()
      • CosolventSystem.load_system()
      • CosolventSystem.local_search()
      • CosolventSystem.reduce_copies()
      • CosolventSystem.save_pdb()
      • CosolventSystem.save_system()
      • CosolventSystem.save_topology()
    • Report
      • Report.generate_density_maps()
      • Report.generate_pymol_reports()
      • Report.generate_report()