ISOLDE Python APIΒΆ
- The primary ISOLDE object
IsoldeParamsIsoldeIsolde.__init__()Isolde.add_checkpoint_block()Isolde.can_checkpointIsolde.change_selected_model()Isolde.checkpoint()Isolde.commit_sim()Isolde.discard_sim()Isolde.equilibrate()Isolde.flip_peptide_bond()Isolde.flip_peptide_omega()Isolde.ignored_residuesIsolde.load_model_and_data()Isolde.minimize()Isolde.paramsIsolde.pause()Isolde.pause_sim_toggle()Isolde.remove_checkpoint_block()Isolde.reset_sim_params()Isolde.resume()Isolde.revert_to_checkpoint()Isolde.selected_atomsIsolde.selected_modelIsolde.selected_model_has_mapsIsolde.selected_model_has_mdff_enabledIsolde.show_master_help_in_browser()Isolde.sim_handlerIsolde.sim_managerIsolde.sim_pausedIsolde.simulation_modeIsolde.simulation_runningIsolde.smoothingIsolde.smoothing_alphaIsolde.start_sim()Isolde.stop_tugging()Isolde.tug_atom_to()
- Core Dihedral Classes
- n-Dimensional Interpolation
- Live Structure Validation
- Restraints and Steering Forces
- (Semi-)Automated Manipulations
- Simulation Setup and Management
- General Utilities
- Session Extensions
get_adaptive_dihedral_restraint_mgr()get_adaptive_distance_restraint_mgr()get_all_adaptive_distance_restraint_mgrs()get_chiral_restraint_mgr()get_distance_restraint_mgr()get_mdff_mgr()get_position_restraint_mgr()get_proper_dihedral_restraint_mgr()get_rama_annotator()get_rota_annotator()get_rotamer_restraint_mgr()get_tuggable_atoms_mgr()
- View
- Ctypes Support
- Threading
- Parameter Management
- Session Extensions