[phenixbb] restraints between molecules in adjacent asymmetric units.

jens j birktoft birktoft at nyu.edu
Thu Dec 4 09:47:31 PST 2014

Hi Everybody.

Are there ways to restrain non-covalent interactions between molecules in
adjacent asymmetric units?
I know the custom bond procedure works well for covalent bonds. However I
also would like to add restraints for (1) bond angles, (2) torsion angles
(less important) and (3) nucleotide base-pairing. I know that all of these
can be generated via the custom bond syntax, but that is a rather tedious
and time-consuming process.  Perhaps there is a simpler way

I know this issue has been raised before but am unaware of any new



Jens J. Birktoft
Director of Crystallography
Structural DNA Nanotechnology
Chemistry Department,
New York University
e-mail: jens.knold at gmail.com; Phone: 212-749-5057
very slow-mail: 350 Central Park West, Suite 9F, New York, NY 10025
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