[phenixbb] restraints between molecules in adjacent asymmetric units.

[Nigel Moriarty]

Jens

You should try

phenix.ligand_linking model.pdb

to see if that is helpful. I think, though, that you should send me an
example so I can check the best method.

Cheers

Nigel

---
Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

On Thu, Dec 4, 2014 at 9:47 AM, jens j birktoft <birktoft at nyu.edu> wrote:

> 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
> developments.
>
> Cheers
>
> Jens
>
> --
> +++++++++++++++++++++++++++++++++++++++++++++++++++
> 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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