pdbParser

Classes

class pdbParser.NAMDPDB(pdbFile=None)

This class takes a PDB file as input. The different types of entries (ATOM, HETATOM,…) are stored in separate lists of lists. In case of an ‘TER’ or a water, the new chain’s atoms list is simply append to the main list.

getCoor(chainIdx=None)

Extract coordinates from pdb data.

Parameters:chainIdx – indices of the wanted chain(s) in self.atomList (optional, default None, all chains)