[Paraview] Molecular viz with PV?

[Marcus D. Hanwell]

On Fri, Apr 6, 2012 at 1:44 PM, Marcus D. Hanwell
<marcus.hanwell at kitware.com> wrote:
> 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.
>
I forgot to add that there are already several formats as someone else
pointed out - Gaussian cube files, PDB files, more recently CML and a
few others. It really depends on what you are working on.

Marcus