[phenixbb] Problem refining structure, error message

Pavel Afonine pafonine at lbl.gov
Thu Feb 18 18:26:39 PST 2016

> 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.


More information about the phenixbb mailing list