[phenixbb] Calculation of bond lengths, angles and torsion angle for large number of proteins

Ashraya Ravikumar ashrayar at gmail.com
Wed Jan 11 23:19:08 PST 2017


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?



Regards,
Ashraya

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.
>
> Pavel
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20170112/b04205f2/attachment.htm>


More information about the phenixbb mailing list