Supported Structure File Formats¶

CRD - CARD format file used by CHARMM¶

This trajectory file format is used by the CHARMM program suite (Molecular Modelling).

Recognized File Extensions

crd

PDB - Brookhaven PDB File¶

Fine grained control over PDB file import is available via the LoadPDB() function. The PDB importer supports loading gzipped PDB files, which are auto-detected by the .gz file extension.

Recognized File Extensions

ent, pdb, ent.gz, pdb.gz

Format Name

pdb

mmCIF - macromolecular Crystallographic Information File¶

Fine grained control over mmCIFile import is available via the LoadMMCIF() function. Most notably, this gives you access to the MMCifInfo class. The mmCIF importer supports loading gzipped files, which are auto-detected by the .gz file extension.

Recognized File Extensions

cif, cif.gz

Format Name

mmcif

PQR¶

Recognized File Extensions

pqr

Format Name

pqr

SDF - Structured Data File¶

Recognized File Extensions

sdf