Hello! Anyone*could help me with*some information*about*this*step in*DYNAMO? Any information will be helpful! 1. Additional structure calculations may be
[NMRpipe Yahoo group] Structures Refine by DYNAMO
Structures Refine by DYNAMO
Hello! Anyone*could help me with*some information*about*this*step in*DYNAMO? Any information will be helpful! 1. Additional structure calculations may be
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News from other NMR forums
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02-06-2012 03:54 PM
[CNS Yahoo group] Re: Refine.inp
Re: Refine.inp
... Most likely your CNS_SOLVE environmental variable is not set properly. Check your cns_solve_env. To verify, you can also go back to the command line and
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nmrlearner
News from other NMR forums
0
02-06-2012 03:54 PM
[CNS Yahoo group] Refine.inp
Refine.inp
Hi i am trying to run the CNS with the refine.inp but it is giving below error. Please help if anybody knows how to break it. EVALUATE: symbol $LOG_LEVEL set
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nmrlearner
News from other NMR forums
0
02-06-2012 03:54 PM
[CNS Yahoo group] Re: Refine.inp
Re: Refine.inp
... Most likely your CNS_SOLVE environmental variable is not set properly. Check your cns_solve_env. To verify, you can also go back to the command line and
More...
nmrlearner
News from other NMR forums
0
12-28-2011 05:16 AM
[CNS Yahoo group] Refine.inp
Refine.inp
Hi i am trying to run the CNS with the refine.inp but it is giving below error. Please help if anybody knows how to break it. EVALUATE: symbol $LOG_LEVEL set
More...
nmrlearner
News from other NMR forums
0
12-25-2011 10:35 PM
[NMR paper] Comparison of X-ray and NMR structures: is there a systematic difference in residue contacts between X-ray- and NMR-resolved protein structures?
Comparison of X-ray and NMR structures: is there a systematic difference in residue contacts between X-ray- and NMR-resolved protein structures?
Related Articles Comparison of X-ray and NMR structures: is there a systematic difference in residue contacts between X-ray- and NMR-resolved protein structures?
Proteins. 2005 Jul 1;60(1):139-47
Authors: Garbuzynskiy SO, Melnik BS, Lobanov MY, Finkelstein AV, Galzitskaya OV
We have compared structures of 78 proteins determined by both NMR and X-ray methods. It is shown that X-ray and NMR structures...
nmrlearner
Journal club
0
12-01-2010 06:56 PM
CNS SA script to to use with RECOORD water refine.
The following script for CNS simulated annealing was submitted by trent. He recommends to use this script as a part of RECOORD structure determination and water refinement protocol to prevent wrong geometry of aromatic rings (as reported here and here). You may find this script useful if you have a ligand in your model that makes CNS go crazy and produce protein structures with collapsed aromatic rings.
Thanks trent!
Mark
*******************************************************************
remarks file sa_cns.inp
nmrlearner
NMR structure calculation
0
08-15-2005 01:51 AM
Hydrogen-bonding potential to refine NMR structure
An Empirical Backbone-Backbone Hydrogen-Bonding Potential in Proteins and Its Applications to NMR Structure Refinement and Validation
Alexander Grishaev and Ad Bax
J. Am. Chem. Soc.; 2004; 126(23) pp 7281 - 7292
http://pubs.acs.org./isubscribe/journals/jacsat/126/i23/figures/ja0319994n00001.gif
Abstract:
A new multidimensional potential is described that encodes for the relative spatial arrangement of the peptidyl backbone units as observed within a large database of high-resolution X-ray structures. The detailed description afforded by such an analysis provides an opportunity to study...
Structures Refine by DYNAMO
Linear Mode
