Supported Structure File Formats

The following file formats are supported by LoadEntity():

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

A variant of the PDB format that contains data related to atom charges and radii.

Recognized File Extensions

.pqr

Format Name

pqr

SDF - Structured Data File

Chemical-data file format.

Recognized File Extensions

.sdf, .sdf.gz