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grid 0.7

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

 
File Type Py Version Uploaded on Size
grid-0.7.tar.gz (md5) Source 2014-02-04 4MB
  • Downloads (All Versions):
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  • Author: Daniel J. Sindhikara
  • License: LGPL
  • Package Index Owner: dansin
  • DOAP record: grid-0.7.xml