def frame_order_ave_pos(root=None, path=None): """Display the PDB structure for the frame order average domain position. @keyword root: The file root of the PDB file containing the frame order average structure. @type root: str """ # Find all PDB files. pdb_files = find_pdb_files(path=path, file_root=root) pdb_files += find_pdb_files(path=path, file_root=root+'_sim') # Read in the PDB files. for file in pdb_files: pymol_obj.exec_cmd("load " + file) # The object ID. id = file_root(file) # Disable the MC simulation representation - the user can find this out for themselves. pymol_obj.exec_cmd("disable %s_sim" % root)
def frame_order_ave_pos(root=None, path=None): """Display the PDB structure for the frame order average domain position. @keyword root: The file root of the PDB file containing the frame order average structure. @type root: str """ # Find all PDB files. pdb_files = find_pdb_files(path=path, file_root=root) pdb_files += find_pdb_files(path=path, file_root=root + '_sim') # Read in the PDB files. for file in pdb_files: pymol_obj.exec_cmd("load " + file) # The object ID. id = file_root(file) # Disable the MC simulation representation - the user can find this out for themselves. pymol_obj.exec_cmd("disable %s_sim" % root)
def frame_order_sim(file=None, path=None): """Display the PDB structure for the frame order Brownian simulation. @keyword root: The full Brownian diffusion file name. @type root: str """ # Find all PDB files. pdb_files = find_pdb_files(path=path, file_root=file) # Read in the PDB files. for file in pdb_files: pymol_obj.exec_cmd("load " + file)
def frame_order_geometric(root=None, path=None): """Display the frame order geometric object. @keyword root: The file root of the PDB file containing the frame order geometric object. @type root: str """ # Find all PDB files. pdb_files = find_pdb_files(path=path, file_root=root) pdb_files += find_pdb_files(path=path, file_root=root+'_A') pdb_files += find_pdb_files(path=path, file_root=root+'_B') pdb_files += find_pdb_files(path=path, file_root=root+'_sim') pdb_files += find_pdb_files(path=path, file_root=root+'_sim_A') pdb_files += find_pdb_files(path=path, file_root=root+'_sim_B') # Read in the PDB files. for file in pdb_files: # Read in the PDB file. pymol_obj.exec_cmd("load " + file) # The object ID. id = file_root(file) # First hide everything. pymol_obj.exec_cmd("select %s" % id) pymol_obj.exec_cmd("hide ('sele')") pymol_obj.exec_cmd("cmd.delete('sele')") # Set up the titles. represent_titles(id=id) # Set up the pivot points. represent_pivots(id=id) # Set up the rotor objects. represent_rotor_object(id=id) # Set up the cone axis. represent_cone_axis(id=id) # Set up the cone object. represent_cone_object(id=id) # Disable the MC simulation representation - the user can find this out for themselves. pymol_obj.exec_cmd("disable %s_sim" % root) pymol_obj.exec_cmd("disable %s_sim_A" % root) pymol_obj.exec_cmd("disable %s_sim_B" % root)
def frame_order_geometric(root=None, path=None): """Display the frame order geometric object. @keyword root: The file root of the PDB file containing the frame order geometric object. @type root: str """ # Find all PDB files. pdb_files = find_pdb_files(path=path, file_root=root) pdb_files += find_pdb_files(path=path, file_root=root + '_A') pdb_files += find_pdb_files(path=path, file_root=root + '_B') pdb_files += find_pdb_files(path=path, file_root=root + '_sim') pdb_files += find_pdb_files(path=path, file_root=root + '_sim_A') pdb_files += find_pdb_files(path=path, file_root=root + '_sim_B') # Read in the PDB files. for file in pdb_files: # Read in the PDB file. pymol_obj.exec_cmd("load " + file) # The object ID. id = file_root(file) # First hide everything. pymol_obj.exec_cmd("select %s" % id) pymol_obj.exec_cmd("hide ('sele')") pymol_obj.exec_cmd("cmd.delete('sele')") # Set up the titles. represent_titles(id=id) # Set up the pivot points. represent_pivots(id=id) # Set up the rotor objects. represent_rotor_object(id=id) # Set up the cone axis. represent_cone_axis(id=id) # Set up the cone object. represent_cone_object(id=id) # Disable the MC simulation representation - the user can find this out for themselves. pymol_obj.exec_cmd("disable %s_sim" % root) pymol_obj.exec_cmd("disable %s_sim_A" % root) pymol_obj.exec_cmd("disable %s_sim_B" % root)