[Xplor-nih] (no subject)

[John Kuszewski]

Hi,

I presume you're talking about using the classic xplor NOE statement,  
in a situation where you have
multiple ASSIgn statements with the same selections, but different  
distance bounds.

In that circumstance, xplor applies both copies of the restraint,  
with their forces calculated using their
individual distance bounds.

I actually fixed this problem in the next version of the Marvin error- 
tolerant NOE potential, but in practice,
it's rarely an issue.

--JK

On Jul 10, 2006, at 1:40 PM, blueoak at berkeley.edu wrote:

> Hi,
>
> Does anyone know what Xplor does with duplicate noe restraints?  
> Does it
> use the weaker or the stronger restraint?
>
> Thank you!
> Michaeleen Callahan-Doucleff
>
> PH.D. Candidate
> Department of Chemistry
> University of California, Berkeley
> Calvin Lab 3/350C
> Berkeley, CA  94720
> 510-486-7315
>
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