VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sat Feb 18 2012 - 11:14:25 CST

Philippe,
  This first version of QuickSurf doesn't attempt to
blend the edges of periodic systems to handle cases where
part of the structure crosses the periodic boundary.
This is something I plan to add (along with several other features)
in an updated version of QuickSurf in the next version of VMD.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Sat, Feb 18, 2012 at 07:45:48AM -0800, Philippe Bopp / temporary wrote:
>
> Hi
>
> question: What is quicksurf's philosophy with
> respect to periodic boundary conditions?
> It seems to me it draws periodic surfaces
> (if I select periodic) but does not compute
> the surface taking into account the periodicity.
>
> Am I right? Am I doing something wrong?
> Does it depend (I could not find out how) on
> the order of the operations?
>
> thanks
>
> Philippe
>
>
>
>
>
> -----------------
> Philippe A. Bopp
>
> philippebopp AT yahoo.com (private)
> Philippe.Bopp AT u-bordeaux1.fr (office)
> ----------------- 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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