Tagged questions

How to convert Xplor distance restraint to Amber?

2 1 1k
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Hi I am wondering if anyone knows a way to convert Xplor distance_restraint files to Amber format (7 or 8 column). Regar...
Posted: rparkesh 11 / Updated: Raman Parkesh 1 Oct 02 '10 at 10:16

Eliminating NOE restraints

1 1 1k
answers votes views
I have collected over 370 NOE restraints for a 38 AA peptide. Because I have less than 10 restraints per residue, I am ...
Posted: E V Clarke 11 / Updated: sekhar Talluri 601 May 23 '10 at 12:18

Is there a tool to manage NOE and other restraint lists for the structure calculations?

1 0 1k
answers votes views
Hello, I'm currently working on solving a peptide NMR solution structure using NIH-XPLOR. I find myself a lot starting ...
Posted: Evgeny Fadeev 5471 / Updated: Ilango 161 Apr 02 '10 at 05:45

How should molecule flexibility affect NOE distance restraint calibration?

1 0 2k
answers votes views
How would you recommend to approach this problem - we have a peptide that has side-chain exposed to the solvent and it i...
Updated: Evgeny Fadeev 5471 Mar 13 '10 at 18:48

How do you find incorrectly assigned NOE restraints?

3 1 2k
answers votes views
So you've analyzed your NOE data sets and have 1000+ assigned restraints, with probably inevitable errors. Going through...
Updated: Evgeny Fadeev 5471 Mar 02 '10 at 09:09
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