[phenixbb] Local B-factor for a ligand
pafonine at lbl.gov
Thu Oct 15 08:39:12 PDT 2015
another way of doing it (that avoid manual editing of the file):
phenix.pdb_atom_selection model.pdb "chain A and resseq 1:3"
phenix.pdbtools selected.pdb model_stat=true
should do it.
On 10/13/15 07:44, Karchevskaya, Anastasia wrote:
> Dear Phenix users,
> Can you, please, clarify, how can I get local B factor for the
> residues around the ligand.
> 1)I saw this reply in an archive:
> 2)But it doesn’t suit me, because, for instance in this case:
> http://www.rcsb.org/pdb/explore/explore.do?structureId=4RUP the
> interacting residues are:
> http://www.rcsb.org/pdb/images/H97:4RUP_psv_v_500.png 302, 265, 175,
> 423 can be fitted into a sequence, but I don’t need everything in
> between them
> 3)There is also another option:
> http://www.ebi.ac.uk/thornton-srv/databases/PDBsum/ru/4rup/grow.out I
> can extract interactions from here and make a request to Phenix. If
> so, can I request the b-factor just for one exact amino acid?
> Thank you in advance,
> phenixbb mailing list
> phenixbb at phenix-online.org
> Unsubscribe: phenixbb-leave at phenix-online.org
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb