[cctbxbb] cctbx and symmetry: source code

prasun kumar prasun30 at gmail.com
Thu Mar 21 10:03:37 PDT 2013


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 at 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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>
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