.. -*- coding: utf-8 -*- .. _XPDB-format: ======================================= XPDB (Extended PDB file) ======================================= .. include:: classes/XPDB.txt The extended PDB reader acts virtually the same as the :ref:`PDB-format` reader. The difference is that extended PDB files (MDAnalysis format specifier *XPDB*) may contain residue sequence numbers up to 99,999 by utilizing the insertion character field of the PDB standard. Five-digit residue numbers may take up columns 23 to 27 (inclusive) instead of being confined to 23-26 (with column 27 being reserved for the insertion code in the PDB standard). PDB files in this format are written by popular programs such as VMD_. As extended PDB files are very similar to PDB files, tell MDAnalysis to use the Extended PDB parser by passing in the ``topology_format`` keyword. .. ipython:: python :okwarning: import MDAnalysis as mda from MDAnalysis.tests.datafiles import PDB pdb = mda.Universe(PDB) pdb.trajectory.format xpdb = mda.Universe(PDB, topology_format='XPDB') xpdb.trajectory.format .. _VMD: http://www.ks.uiuc.edu/Research/vmd/