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===========
Grid
===========

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

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Volumetric data manipulator

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  • Python 100.0%