[phenixbb] Local B-factor for a ligand

Karchevskaya, Anastasia anastasia.karchevskaya.14 at ucl.ac.uk
Tue Oct 13 07:44:31 PDT 2015

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,

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