[phenixbb] Problem refining structure, error message
nketaren at mail.rockefeller.edu
Fri Feb 19 14:41:54 PST 2016
Thank you everyone for all your helpful suggestion! Easily my favorite message board!
What solved the error was Georg’s suggestion, being to got to the ‘Utilities’ menu and selecting ‘clear custom selections’.
Natalia E. Ketaren, PhD
The Rockefeller University
1230 York Avenue
New York, NY 10065
Tel: (212) 327-8136
Fax: (212) 327-7193
Natalia.Ketaren at rockefeller.edu<mailto:Natalia.Ketaren at rockefeller.edu>
On Feb 18, 2016, at 9:26 PM, Pavel Afonine <pafonine at lbl.gov<mailto:pafonine at lbl.gov>> wrote:
phenix.refine does not use REMARKS.
Actually it uses some information from REMARK records (if it finds it and validates it is good, otherwise continues), such as TLS selections, twin operator, perhaps something else which I forgot.
Recently it started outputting LINK records for internally generated extra restraints, such as metal coordination or ligand linking. I can't remember if we read them back and if we do what happens if LINK defines nonexistent (obsolete) atoms.
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