This document is for OpenStructure version 1.4, the latest version is 2.8 !

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

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Contents

Documentation is available for the following OpenStructure versions:

dev / 2.8 / 2.7 / 2.6 / 2.5 / 2.4 / 2.3.1 / 2.3 / 2.2 / 2.1 / 2.0 / 1.9 / 1.8 / 1.7.1 / 1.7 / 1.6 / 1.5 / (Currently viewing 1.4) / 1.3 / 1.2 / 1.11 / 1.10 / 1.1

This documentation is still under heavy development!
If something is missing or if you need the C++ API description in doxygen style, check our old documentation for further information.