selective nonbonded restraint removal - phenixbb - phenix-online.org

newer
Re: [phenixbb] selective nonbonded...

selective nonbonded restraint removal

older
SAD related query

Cathy Lawson

4 Sep 2007 4 Sep '07

8:34 p.m.

Hi Phenix bber's, I have been trying out phenix.refine and like it very much so far. Is it possible to turn off nonbonded restraints for particular residues/monomers, or for atoms with occupancy less than 1.0? Thanks, Cathy Lawson /////////////////////////////////////////////////////// http://rutchem.rutgers.edu/~lawson

Attachments:

attachment.html (text/html — 2.2 KB)

Reply

Sign in to reply online Use email software

Show replies by date

Ralf W. Grosse-Kunstleve

4 Sep 4 Sep

8:46 p.m.

Hi Cathy,

Is it possible to turn off nonbonded restraints for particular residues/monomers, or for atoms with occupancy less than 1.0?

Nope, sorry. It is on the (long) to-do list. BTW: each time someone asks the priority goes up. Ralf

Reply

Sign in to reply online Use email software

6325

Age (days ago)

6325

Last active (days ago)

Download

1 comments

2 participants

tags

participants (2)

Cathy Lawson
Ralf W. Grosse-Kunstleve