Hi Ashok,

If you have a PDB file with 2 crystallographically-related copies of your molecule, with one called chain A and one called chain B, you can run phenix.simple_ncs_from_pdb on your PDB file to find the matrices and translations.  Let me know if that doesn't do it!

All the best,

Tom T

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From: phenixbb-bounces@phenix-online.org <phenixbb-bounces@phenix-online.org> on behalf of Ashok Nayak <ashokgocrackin@gmail.com>
Sent: Wednesday, November 18, 2015 7:58 AM
To: phenixbb@phenix-online.org
Subject: [phenixbb] (no subject)

 

Hello Phenix BB,

Like every amateur crystallographer I could easily generate symmetry mates in a given radius in coot, but I wondered always which is the crystallographic two fold axis axis(my space group being C2) through which the molecule is rotated and translated (if it is) to get the next molecule. I tried superpose to find the answer, but could only get the Euler angles and transformation matrix and not the axis. Are there any programs where I can get to know this, would be grateful to be enlightened for the same

thanks BB in advance

regards

--

Ashok Nayak
PhD student-
Molecular and Structural Biology Division
CSIR-CDRI, Janakipuram Extension
Lucknow-226031
India