mdciao.cli.pdb

mdciao.cli.pdb(code, filename=None, verbose=True, url='https://files.rcsb.org/download/')

Return a Trajectory from a four-letter PDB code via RCSB PBB lookup

Thinly wraps around mdciao.pdb.pdb2traj, which wraps around mdtraj.load_pdb and prints the corresponding citation.

Will return None if lookup fails

Parameters

  • code (str) – four-letter code, e.g. 3SN6

  • filename (str, default is None) – if str, save to this file, eventually overwriting

  • verbose (bool, default is False) – Be verbose

  • url (str, default is ‘https://files.rcsb.org/download’) – base URL for lookups

Returns

traj

Return type

Trajectory or None