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@LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

On Thu, Dec 4, 2014 at 9:47 AM, jens j birktoft <birktoft@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

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

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