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
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 _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
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