Re: [Xplor-nih] A question about rotamers

2014-04-10 Thread Si Yan
Hi Charles, Thanks! This information is very helpful. I have tried the torsionDB term, and the RAMA energy does decrease a little. I will include the torsion angles from TALOS-N for the refinement. Best Si On Thu, Apr 10, 2014 at 10:15 AM, Charles Schwieters wrote: > > Hello Si-- > > > > >

Re: [Xplor-nih] A question about rotamers

2014-04-10 Thread Charles Schwieters
Hello Si-- > >     I have refined some structures from solid-state NMR > restraints. When we compare the NMR structure of our protein with > X-ray structures with different binding partners, we find some PHE's > aromatic rings present rotamer difference between NMR structure and > the X-ray stru

Re: [Xplor-nih] A question about rotamers

2014-04-09 Thread Si Yan
___ > From: Si Yan [s...@udel.edu] > Sent: Wednesday, April 09, 2014 5:06 PM > To: xplor-...@nmr.cit.nih.gov > Subject: [Xplor-nih] A question about rotamers > > Hello Charles and others, > > I have refined some structures from solid-state NMR restraints. W

Re: [Xplor-nih] A question about rotamers

2014-04-09 Thread Bermejo, Guillermo (NIH/CIT) [E]
edu] Sent: Wednesday, April 09, 2014 5:06 PM To: xplor-...@nmr.cit.nih.gov Subject: [Xplor-nih] A question about rotamers Hello Charles and others, I have refined some structures from solid-state NMR restraints. When we compare the NMR structure of our protein with X-ray structures with differe

[Xplor-nih] A question about rotamers

2014-04-09 Thread Si Yan
Hello Charles and others, I have refined some structures from solid-state NMR restraints. When we compare the NMR structure of our protein with X-ray structures with different binding partners, we find some PHE's aromatic rings present rotamer difference between NMR structure and the X-ray str