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, PyMOL, or Chimera.
Adding new formats is not difficult and user-contributed format reader/writer can be easily integrated---send a pull request.
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.
| module or class | format | extension | read | write | remarks |
|---|---|---|---|---|---|
| :mod:`~gridData.OpenDX` | OpenDX | dx | x | x | subset of OpenDX implemented |
| :mod:`~gridData.gOpenMol` | gOpenMol | plt | x | ||
| :mod:`~gridData.mrc` | CCP4 | ccp4,mrc | x | x | subset implemented |
| :class:`~gridData.core.Grid` | pickle | pickle | x | x | standard Python pickle of the Grid class |
| :mod:`~gridData.OpenVDB` | OpenVDB | vdb | x | implemented for Blender visualization |
.. toctree:: :maxdepth: 1 formats/OpenDX formats/gOpenMol formats/mrc formats/OpenVDB