[Xplor-nih] VMD-XPLOR
Marcela Madrid
mmadrid at psc.edu
Wed Jul 11 11:31:36 EDT 2007
hi,
I started using VMD-XPLOR to visualize a molecule and its NMR
constrains. I would like to understand better what I am getting. I have
converted the AMBER restrain file to XPLOR format, and now I have a set
of three distances: d dlow dhigh. I understand the exact meaning of
these numbers depends on the restraining function used. So my question
is, what is the default for VMD-XPLOR? For example if I set
2.8, 0.5, 0.5
does that mean the NOE distance is 2.8+-0.5 A?
Or should I specify this as 2.8, 2.3, 3.3 ?
Another question is what is the "cutoff" button that is in the NOE
window of VMD-XPLOR?
Thanks so much, Marcela
More information about the Xplor-nih
mailing list