Dear Luc

Basically My idea is to use cctbx for generating the unit cell for the small molecule or macromolecule.

The two codes I mentioned in my earlier mail, can give us unit cell or 3X3X3 matrix or arrangement of unit cell, but I need to use Pymol and then connect it with the CCTBX.

So I wanted some modification in the code itself so that I can pass the required information (file name and CRYST1 record) and I can get the generated Unit Cell.

Thanx alot for your timely help and suggestions.

Regards

Prasun Kumar

PRASUN (ASHOKA)
Desire + stability = Resolution
Resolution + Hard work = Success

On Thu, Mar 21, 2013 at 3:09 PM, Luc Bourhis <luc_j_bourhis@mac.com> wrote:

Hi Prasun,

sorry for answering with a bit of a delay.

Now I am searching for the code which can give me the filled unit cell or matrix (3X3X3) of unit cell.

Could you elaborate on what you want to do in more details? The two PyMol modules you mention provide many features and I am not sure exactly which one you are interested in.

Best wishes,

Luc

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