3. Formats

A limited number of commonly used formats can be read or written. The formats are particularly suitable to interface with molecular visualization tools such as VMD or PyMOL.

Adding new formats is not difficult and user-contributed format reader/writer can be easily integrated—send a pull request.

3.1. Supported file formats

The package can be easily extended. The OpenDX format is widely understood by many molecular viewers and is sufficient for many applications that were encountered so far. Hence, at the moment only a small number of file formats is directly supported.

Available file formats in gridData
module or class format extension read write remarks
OpenDX OpenDX dx x x subset of OpenDX implemented
gOpenMol gOpenMol plt x    
CCP4 CCP4 ccp4 x   subset implemented
Grid pickle pickle x x standard Python pickle of the Grid class