[phenixbb] planarities definition help

Partha Chakrabarti ppchak at gmail.com
Tue Oct 9 11:20:40 PDT 2007

Funny enough, yesterday I asked Pavel a very similar question:

1. If resolution is high enough, lets say 1.5A or so, how can I specifically
release the restrains in the active site? To define atom A, the first
sphere, and second sphere.. example would be a phosphate, oxygens of that
and the side chain of amino acid residues which come within a distance.. can
you give me a syntax example for that?

Don't make programs which are too good, users start to ask for a lot :))

Cheers, Partha

On 10/9/07, Ralf W. Grosse-Kunstleve <rwgk at cci.lbl.gov> wrote:
> > Can I specify dihedral bond angles?
> No, that's missing, too. The underlying library supports bond, angle,
> dihedral, chirality, and planarity. Only the first two are currently
> supported under geometry_restraints.edits.
> Ralf
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MRC National Institute for Medical Research
Division of Molecular Structure
The Ridgeway, NW7 1AA, UK
Email: pchakra at nimr.mrc.ac.uk
Phone: + 44 208 816 2515
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