|segment_ids = <str:0>||''||new segment ids|
|renumber_residues = <int:0>||starting residue index for renumbering residues|
This command re-labels residue numbers in each chain (i.e., segment) so that they start with renumber_residues[iseg]. In addition, the single character PDB chain id's are also assigned: They are obtained from the corresponding elements of segment_ids. Thus, there should be as many elements in segment_ids and renumber_residues as there are chains in the current MODEL.
# Example for: model.rename_segments() # This will assign new PDB single-character chain id's to all the chains # in the input PDB file (here there are two 'chains': protein and the HETATM # water molecules). from modeller import * # Read the MODEL with all HETATM and water records (so there are two 'chains'): env = environ() env.io.atom_files_directory = '../atom_files' env.io.hetatm = True env.io.water = True mdl = model(env, file='1fas') # Assign new segment names and write out the new model: mdl.rename_segments(segment_ids=('X', 'Y')) mdl.write(file='1fas.ini')