VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Sat Feb 18 2012 - 11:14:25 CST
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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 Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/ Fax: 217-244-6078
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