[phenixbb] atoms with unknown nonbonded energy type
danilo.belviso at ic.cnr.it
Fri Jan 11 05:10:19 PST 2019
I am refining the structure of a cyclic peptide with having residues
that are not in the ligand list of phenix.
I would to perform unrestrained refinement by considering the very good
resolution of the data. However, also in this case, phenix requires the
restrain file of the ligand.
I got cif file in two different way:
1) PRODRG server
2) by running phenix.elbow
both produce the restrain file with no error message. However, by using
such file in the refining, I get this error:
Sorry: Fatal problems interpreting model file:
Number of atoms with unknown nonbonded energy type symbols: 14
In the cif file, there are not atoms having 14 as energy type symbols.
Could you suggest to what this message is referred to?
How can I modify the cif to overcome the problem?
Thanks in advance,
Dr. Belviso Benny Danilo, PhD
Istituto di Cristallografia (IC)
Consiglio Nazionale delle Ricerche (CNR)
via Amendola 122/o, 70126 Bari - Italy
Tel ++39 080 5929273
Fax ++39 080 5929170
mail: danilo.belviso at ic.cnr.it
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