[vtkusers] vtkMolecule and vtkAtom

Marcus D. Hanwell marcus.hanwell at kitware.com
Mon Sep 7 09:49:00 EDT 2015


On Mon, Sep 7, 2015 at 5:15 AM, Favre  Jean <jfavre at cscs.ch> wrote:
>
> Thanks David for the tip, and thanks to Marcus for pushing integration of this into the main code.

It is now merged into master.
>
> Things work really well in Python. I love the vtkSimpleBondPerceiver and vtkMoleculeMapper and the improved vtkPointGaussianMapper enables me to show the electrons through the molecular structure.

Glad it is working well, I would love to see any examples you might be
able to share.
>
> That Google Summer of Code project is a great contribution.
>
Yes, it was great to start some of this work with a GSoC project,
there has been a fair bit of follow up work too, such as a specialized
mapper in OpenGL2. Glad we can now make it simpler to experiment using
the Python bindings to build visualizations.

It is great it took so little code now that the Python bindings are
able to wrap more and more of C++.

Best,

Marcus


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