cleaning

pyrosetta.toolbox.cleaning.cleanATOM(pdb_file, out_file=None, ext='.clean.pdb')

Extract all ATOM and TER records in a PDB file and write them to a new file.

Args:

pdb_file (str): Path of the PDB file from which ATOM and TER records

will be extracted

out_file (str): Optional argument to specify a particular output filename.

Defaults to <pdb_file>.clean.pdb.

ext (str): File extension to use for output file. Defaults to “.clean.pdb”

pyrosetta.toolbox.cleaning.cleanCRYS(pdb_file, olig=2, out_file=None)

Extract a monomer from an oligomeric PDB file and write it to a new file.

Notes:

This is a simple sequence comparison.

Args:

pdb_file (str): Path of the PDB file from which ATOM and TER records

will be extracted.

olig (int): Number of subunits in the input complex. out_file (str): Optional argument to specify a particular output filename.

Defaults to <pdb_file>.mono.pdb.