[phenixbb] Calculation of bond lengths, angles and torsion angle for large number of proteins
pafonine at lbl.gov
Wed Jan 11 23:31:28 PST 2017
On Jan 11, 2017 11:19 PM, "Ashraya Ravikumar" <ashrayar at gmail.com> wrote:
> Hi Pavel,
> Thanks a lot for your help. I have one question though. I noticed that all
> the measures have been sorted by residual. Is there a way to order them
> based on the residue number?
> On Thu, Jan 12, 2017 at 12:10 PM, Pavel Afonine <pafonine at lbl.gov> wrote:
>> Hi Ashraya,
>> I would like to calculate all the bond lengths, bond angles and main
>>> chain torsion angles for a large set of proteins, in PDB format. Could you
>>> please let me know which module/command in phenix is suitable for this task?
>> phenix.pdb_interpretation model.pdb write_geo_files=true
>> this will write a file with full list of bond/angle/plane/torsion/etc
>> definitions for the model you provide.
>> Let me know if you have any questions.
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