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