[phenixbb] Electrostatic potential map/Delphi/PDB2PQR

Ivan IVANOV ivanov at embl.fr
Tue Oct 21 08:20:55 PDT 2014

Dear All, 
  I am facing a problem. I have a protein-RNA complex at 2A resolution I
refined using TLS in Phenix. Now in the pdb file I have ANISOU line for
every atom and probably many other errors. This is the reason I am not
able to run Delphi or PDB2PQR to create potential electrostatic map. 
  I removed already all water molecules and all heteratoms and ANISOU
lines and RNA molecule. The program creating the phi file for the
potentials does not work at all. 
   Do you know any server which can correct any errors in the pdb file
in order to run properly the program to create electrostatic map ??
   Thanks a lot, 
Ivan Ivanov, PhD
PostDoctoral fellow at EMBL, European Molecular Biology Laboratory,
Structural biology of RNA-protein complexes, Dr. Stephen Cusack,
71, avenue des Martyrs CS 90181
38042 Grenoble Cedex 9
T: +33 (0)4 76 20 7630
T(lab): +33 (0)4 76 20 7014
Email: ivanov at embl.fr
Url: http://www.embl.fr

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