By default, the modelXY program reports an error range which accounts for 90% of the monte carlo trials (argument -cf 0.9). It may well be that the other
A general Monte Carlo/simulated annealing algorithm for resonance assignment in NMR of uniformly labeled biopolymers
A general Monte Carlo/simulated annealing algorithm for resonance assignment in NMR of uniformly labeled biopolymers
Abstract We describe a general computational approach to site-specific resonance assignments in multidimensional NMR studies of uniformly 15N,13C-labeled biopolymers, based on a simple Monte Carlo/simulated annealing (MCSA) algorithm contained in the program MCASSIGN2. Input to MCASSIGN2 includes lists of multidimensional signals in the NMR spectra with their possible residue-type assignments (which need not be unique), the biopolymer sequence, and a table that describes...
nmrlearner
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06-30-2011 05:01 AM
[NMRpipe Yahoo group] Re: Error in script
Re: Error in script
oo! There are more than a few problems in the script. For one thing, it seems that many lines have a backslash "\" character at the end when they shouldn't,
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05-27-2011 10:40 AM
[NMRpipe Yahoo group] Re: Error in script
Re: Error in script
Is it possible that your first fid terminated prematurely and is not the same size as you expected it to be? Were you able to process your data files
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05-27-2011 10:40 AM
[NMRpipe Yahoo group] Error in script
Error in script
This is the script I have used to process relaxation data in the past. However I am now getting an error. Can anyone help me figure out where the error in my
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[NMRpipe Yahoo group] Monte Carlo Error using modelXY
Monte Carlo Error using modelXY
Hello dear NMRPipe users, I'm using the modelXY program provided by NMRpipe to fit T1 relaxation curves. It seems to work fine but when I compare to the
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03-01-2011 01:57 PM
Sequence specific resonance assignment via Multicanonical Monte Carlo search using an ABACUS approach
Sequence specific resonance assignment via Multicanonical Monte Carlo search using an ABACUS approach
Alexander Lemak, Carlos A. Steren, Cheryl H. Arrowsmith and Miguel Llinás
Journal of Biomolecular NMR; 2008; 41(1); pp 29 - 41
Abstract:
ABACUS is a novel protocol for automated protein structure determination via NMR. ABACUS starts from molecular fragments defined by unassigned J-coupled spin-systems and involves a Monte Carlo stochastic search in assignment space, probabilistic sequence selection, and assembly of fragments into structures that are used to guide the stochastic...
Mikey
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08-14-2008 12:37 AM
MONTE: a program for automated NMR assignment
MONTE: An automated Monte Carlo based approach to nuclear magnetic resonance assignment of proteins.
Hitchens TK, Lukin JA, Zhan Y, McCallum SA, Rule GS.
Department of Biological Sciences, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, PA 15213, USA.
J Biomol NMR. 2003 Jan;25(1):1-9.
http://www.bionmr.com/forum/style_images/monte.gif
Monte website