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

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 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