README.md

PDBchecker

Get a universe for a PDB file from the web database

import pdbchecker
u = pdbchecker.get_PDB_universe('1aki')

Identify atoms of certain types

pdbchecker.get_apolar(u)
pdbchecker.get_polar_acceptor(u)
pdbchecker.get_polar_acceptor_ionic_negative(u)
pdbchecker.get_polar_donor(u)
pdbchecker.get_polar_donor_ionic_positive(u)
pdbchecker.get_polar_mixt(u)

Identify gaps between residues

pdbchecker.get_gaps(u)