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, PyMOL, or Chimera.

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

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