Tagged questions

Example of XPLOR NMR structure with unnatural custom residues

0 2 3k
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Hi there! Could anyone share an example of NIH-XPLOR files for annealing of NMR structure with non-natural residues. May...
Updated: anita 31 Jan 19 '10 at 11:40

Is there a script that converts Sparky .list files to XPLOR input format?

1 1 5k
answers votes views
I have 5 different RDCs that I've extracted using simple perl scripts and Sparky .list files. I want to use XPLOR for s...
Posted: mikaelastewart 11 / Updated: Evgeny Fadeev 5771 Mar 15 '10 at 14:37

How to convert Xplor distance restraint to Amber?

2 1 5k
answers votes views
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

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

1 0 4k
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 5771 / Updated: Ilango 171 Apr 02 '10 at 05:45

How to keep XPLOR structure calculation from exploding?

1 0 4k
answers votes views
Trying to calculate a structure using sa.inp script and the energy in the cooling loop increases instead of going down. ...
Updated: Evgeny Fadeev 5771 Nov 02 '10 at 11:57

How to set up RAMA database restraints for NIH-XPLOR (for peptide NMR structure calculation)?

0 0 8k
answers votes views
Hello, has anyone managed to set up RAMA restraints for NIH-XPLOR? For some reason I'm always getting E(RAMA)=0.000 in t...
Updated: Evgeny Fadeev 5771 Nov 02 '10 at 15:18

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