[phenixbb] phenix refine geometry restraints

George Devaniranjan devaniranjan at gmail.com
Fri Sep 12 08:57:02 PDT 2014


I was trying to restrain the N-CA-C angle to 110.0

I updated the .def file as follows:

 angle {
      action = *add
      atom_selection_1 = name N
      atom_selection_2 = name CA
      atom_selection_3 = name C
      angle_ideal = 110.0
      sigma = 2

I got the following:
Sorry: More than one atom selected: "name N"
  Number of selected atoms: 86

I tried using N in quotes and it doesn't work either but the example in the
website had this(below), what am I doing wrong?

resname ALA and (name ca or name c or name n or name o)

Thank you
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