[phenixbb] phenix refine geometry restraints
Pavel Afonine
pafonine at lbl.gov
Fri Sep 12 09:14:29 PDT 2014
Hi George,
perhaps there are several instances of atom name N in your model. You
need to be more specific, for example:
chain A and resseq 123 and name N
This selects atom N in residue number 123 in chain A. If there are
alternative conformation, you need to be even more specific:
chain A and resseq 123 and name N and altloc B
Pavel
> Hi,
>
> 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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