toolbox.cleaning Namespace Reference

Functions
def	cleanATOM
def	cleanCRYS

Function Documentation

def toolbox.cleaning.cleanATOM	(		pdb_file,
			out_file = '',
			edit = -4
	)

Writes all lines in the PDB file  <pdb_file>  beginning with "ATOM" or
"TER" into  <out_file>  (defaults to  <pdb_file>.clean.pdb)
note: the third argument, <edit>, if for PDB files not ending in .pdb

example:
    cleanATOM('1YY9.pdb')
See also:
    Pose
    Pose.dump_pdb
    pose_from_file
    pose_from_rcsb
    cleanCRYS

References basic::database.open().

def toolbox.cleaning.cleanCRYS	(		pdb_file,
			olig = 2,
			out_file = ''
	)

Writes a PDB file for a monomer of  <pdb_file>  if it is a  <olig>-mer
to  <out_file>  (defaults to  <pdb_file>.mono.pdb)
note: this is a simple sequence comparison

example:
    cleanCRYS('1YY8.pdb',2)
See also:
    Pose
    Pose.dump_pdb
    pose_from_file
    pose_from_rcsb
    cleanATOM

References basic::options::OptionKeys::relax::range.range, round(), and sum().