[Paraview] Molecular viz with PV?

Marcus D. Hanwell marcus.hanwell at kitware.com
Fri Apr 6 13:44:46 EDT 2012


On Tue, Apr 3, 2012 at 7:23 AM, Valdo Meyer <stan1313 at hotmail.fr> wrote:
> Hello,
> I would like to get pointers on previous or current works on visualizing
> molecules and especially molecules dynamics with PV, any help?
>
Hi,

Last year a Google Summer of Code project added some new data types
and utility classes for chemical structure visualization. We plan to
add some new representations to ParaView at some point soon, along
with some experimental work in ParaViewWeb for web visualization using
the ParaView framework.

We are looking at MD, and the best way to support some of those data
structures in VTK and ParaView but there is nothing I can point you to
that can be used right now. What MD file formats are you thinking of,
what type of visualization/analysis are you hoping to do? I think more
will be added, but there is not a specific project that is tasked with
extending ParaView for molecular visualization.

Hope that helps.

Marcus


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