VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Mon Jul 23 2007 - 09:17:30 CDT

Hi Rachel,
you can access beta values in atom selection texts as "beta". Here's an
example that does what it sounds like you want:

set sel [atomselect top "beta > 5.0"]
puts [$sel get {resname resid}]

Rachel wrote:
> Dear all VMD users,
>
> I have a pdb with user-defined b-factor values, how can I select the
> atoms according to the value of the b-factors and get those residue
> names printed out? thank you for your help.
>
>
> Kind regards,
> Rachel