Grouped B-factor refinement doesn't work well because it is unrestrained in nature and allows for discontinuites in B-factors of covalently bonded atoms. Just
[KPWU blog] water refinement in Xplor-NIH
water refinement in Xplor-NIH
Starting at Xplor-NIH 2.26 (now it’s version 2.29 on Feb. 8th, 2012), official Xplor-NIH package provides an example script doing explicit solvent refinement. The short description made by Xplor-NIH author: ============ wrefine.py: refinement with explicit solvent and full electrostatics. Includes*rdcs, noes, jcoupling terms and dihedral restraints. This is a*work-in-progress. Please compare with other protocols. In*particular, http://stats.wordpress.com/b.gif?host=kpwu.wordpress.com&blog=76132&post=636&subd=kpwu&ref=&feed=1
Go to KPWU blog to read complete...
nmrlearner
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02-09-2012 08:16 AM
solution to a basic nmr problem, practice problem 3
solution to a basic nmr problem, practice problem 3
http://i.ytimg.com/vi/mOdABDblqKo/default.jpg
solution to a basic nmr problem, practice problem 3
The solution to a good, basic practice nmr and IR problem at Bryn Mawr College by M Nerz
From: mnerzsto
Views: 4060
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nmrlearner
NMR educational videos
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09-14-2011 09:34 PM
[CNS Yahoo group] water refinement problem - broken structure
water refinement problem - broken structure
Dear all, I'm trying to perform water refinement for the very first time (new CNS user), on an NMR ensemble of CYANA calculated protein structures but the end
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nmrlearner
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07-18-2011 09:41 AM
[NMR paper] Structural difference between group I and group II cobra cardiotoxins: X-ray, NMR, an
Structural difference between group I and group II cobra cardiotoxins: X-ray, NMR, and CD analysis of the effect of cis-proline conformation on three-fingered toxins.
Related Articles Structural difference between group I and group II cobra cardiotoxins: X-ray, NMR, and CD analysis of the effect of cis-proline conformation on three-fingered toxins.
Biochemistry. 2005 May 24;44(20):7414-26
Authors: Chen TS, Chung FY, Tjong SC, Goh KS, Huang WN, Chien KY, Wu PL, Lin HC, Chen CJ, Wu WG
Natural homologues of cobra cardiotoxins (CTXs) were...
nmrlearner
Journal club
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11-25-2010 08:21 PM
[NMR paper] NMR study of the transforming growth factor-alpha (TGF-alpha)-epidermal growth factor
NMR study of the transforming growth factor-alpha (TGF-alpha)-epidermal growth factor receptor complex. Visualization of human TGF-alpha binding determinants through nuclear Overhauser enhancement analysis.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-standard-jbc_full_free.gif Related Articles NMR study of the transforming growth factor-alpha (TGF-alpha)-epidermal growth factor receptor complex. Visualization of human TGF-alpha binding determinants through nuclear Overhauser enhancement analysis.
J Biol...
nmrlearner
Journal club
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08-22-2010 02:20 PM
[CNS Yahoo group] Re: problem in group B factor refinement
Re: problem in group B factor refinement
Actually, group B-factor refinement now also includes restraints when using the new "refine.inp" task file in v1.3. I suggest you try various values for the
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nmrlearner
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08-21-2010 03:26 PM
[CNS Yahoo group] problem in group B factor refinement
problem in group B factor refinement
Dear CNS users, I am refining a 3.1 A structure (from Molecular Replacement) with CNS 1.3, and after rigid-body and annealing, I wanted to do group B
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nmrlearner
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08-21-2010 03:26 PM
structure refinement after cyana
Can anybody tell me, how to energy minimize a CYANA calculated average structure. I used model_minimize.inp from CNS, but is there any other method generally used by the CYANA users.
Also, how can I get the bonds, impropers and angle violation (rmsds) information on the CYANA calculated structures. Does CYANA has any program to do it.
Please help me with it.
Thank you.