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

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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 5571 Nov 02 '10 at 15:18

How to keep XPLOR structure calculation from exploding?

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Trying to calculate a structure using sa.inp script and the energy in the cooling loop increases instead of going down. ...
Updated: Evgeny Fadeev 5571 Nov 02 '10 at 11:57

Relating 13C and 1H chemical shifts for representation of 2D CSPs

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Hi, our lab uses the following relationship for the calculation of normalized CSPs from 1H-15N HSQC spectra: CSPnorm = (...
Posted: Martin Williams 11 / Updated: eiso 31 Oct 11 '10 at 03:33
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