Load PDB files into rdkit with nonstandard residues
Project description
PDBInf allows you to read PDB files using RDKit and assign bond orders from .cif (PDBx) template files.
# provide a PDBx defining the TPO nonstandard residue
nonstandard_residues = gemmi.cif.read('./tpo.cif')
# load a PDB file using the built-in standard amino acid doc and providing information on the nonstandard residues
pdbinf.load_pdb_file('./tpo.pdb', templates=[pdbinf.STANDARD_AA_DOC, nonstandard_residues])
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
pdbinf-0.0.4.tar.gz
(131.1 kB
view hashes)
Built Distribution
pdbinf-0.0.4-py3-none-any.whl
(139.6 kB
view hashes)
