[phenixbb] planarities definition help

Francis E Reyes Francis.Reyes at Colorado.EDU
Tue Oct 9 09:44:20 PDT 2007


Can I specify dihedral bond angles?

I see only three atom_selections under geometry_restraints.edits.angle


Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D

8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D

On Oct 9, 2007, at 10:27 AM, Ralf W. Grosse-Kunstleve wrote:

> Hi Francis,
> Currently we don't support what you are looking for; sorry.
> geometry_restraints.edits would be the place to look, but
> you'll find only bond and angle. I didn't get to the other
> restraint types.
> However, in theory you could work with .cif files, although
> it may be a bit cumbersome. Could you explain in some detail
> which atoms you want to restrain?
> I'll put the geometry_restraints.edits.planarity support up
> higher on my todo list.
> Ralf
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