[phenixbb] Local B-factor for a ligand

[Pavel Afonine]

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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