Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
J Am Chem Soc. 2011 Apr 4;
Authors: Ryabov Y, Schwieters CD, Clore GM
(15)N R(2)/R(1) relaxation data contain information on molecular shape and size as well as on bond vector orientations relative to...
[Question from NMRWiki Q&A forum] How to set up RAMA database restraints for NIH-XPLOR (for peptide NMR structure calcu
How to set up RAMA database restraints for NIH-XPLOR (for peptide NMR structure calculation)?
Hello, has anyone managed to set up RAMA restraints for NIH-XPLOR? For some reason I'm always getting E(RAMA)=0.000 in the output, that is the term is registered, but the the energy is always zero.
Somehow either parameters for the interaction are assumed to be zero or there are no atoms that have those energy term... Thanks.
In my sa.inp I've got the following setup:
!(1) initial setupevaluate ($krama = 1.0) !intraresidue proteinevaluate ($kramalr = 0.15) !long range proteinevaluate...
nmrwiki: How to set up RAMA restraints for NIH-XPLOR? #nmr #structurehttp://qa.nmrwik
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