Tony, are things exploding right out of phenix when viewed in another program or when you do a real-space refinement in let's say coot? A likely culprit is probably a mismatch between the monomer definitions and your atom names. Try to narrow it down to the residues/ligands which are exploding, some of them looked OK in your picture, may be you have a non-standard aminoacid present? Then check the atom names and residue names against the monomer definitions. The monomer file location can be queried with phenix.where_mon_lib_list_cif. Cheers, Carsten
-----Original Message----- From: [email protected] [mailto:phenixbb- [email protected]] On Behalf Of Antony Oliver Sent: Tuesday, October 06, 2009 6:03 AM To: PHENIX user mailing list Subject: [phenixbb] PHENIX 1.5 and exploding residues
Dear all,
I am currently refining a structure using PHENIX 1.5-3 and have encountered some problems with "exploding residues". I have attached a image (small PNG file) highlighting the problem. Has anyone had a similar experience? Or know the solution to the problem? Change weighting in favour of geometry ?
Many thanks,
Tony Oliver
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