Anastasia, another way of doing it (that avoid manual editing of the file): phenix.pdb_atom_selection model.pdb "chain A and resseq 1:3" --write-pdb-file=selected.pdb then phenix.pdbtools selected.pdb model_stat=true should do it. Pavel 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: http://www.phenix-online.org/pipermail/phenixbb/2011-March/016819.html
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,
Anastasia
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