ample.util.scwrl_util module¶

@author: jmht

class Scwrl(scwrl_exe=None, workdir=None)[source]¶

Bases: object

Methods

add_sidechains([pdbin, pdbout, sequence, …])

Add the specified sidechains to the pdb

process_directory
process_models

add_sidechains(pdbin=None, pdbout=None, sequence=None, hydrogens=False, strip_oxt=False)[source]¶

Add the specified sidechains to the pdb

process_directory(in_dir, out_dir, strip_oxt=False, prefix=’scwrl’)[source]¶

process_models(models, out_dir, strip_oxt=False, prefix=’scwrl’)[source]¶