[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
>
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20140912/b549f296/attachment.htm>


More information about the phenixbb mailing list