mdciao.pdb.pdb2traj¶
-
mdciao.pdb.
pdb2traj
(code, filename=None, verbose=True, url='https://files.rcsb.org/download/')¶ Return a
Trajectory
from a four-letter PDB code via RCSB PDB lookupThinly wraps around
mdtraj.load_pdb
, printing 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) –
url (str, default is ‘https://files.rcsb.org/download’) – base URL for lookups
- Returns
traj
- Return type
Trajectory
or None