Volumetric data module
Grid contains objects and functions pertaining to 3D volumetric (grid) data. It was specifically written for 3D-RISM distribution data but is by no means limited to such data. Grid requires numpy.
Typical usage often looks like this:
#!/usr/bin/env python import grid mygrid = grid.dx2Grid("mydxfilename")
Some files can be converted now using gridconvert.py:
gridconvert.py mydxfile.dx grd
Will yield an Accelrys DS .grd file