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structure_formats.rst 1.55 KiB
Supported Structure File Formats
The following file formats are supported by :func:`~ost.io.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 :func:`~ost.io.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 :func:`~ost.io.LoadMMCIF` function. Most notably, this gives you access to the :class:`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