Rendering CML files with OSPRay


I have been using CML format to render molecules in Paraview and do further visual analyses of quantum chemistry data, such as using the Stream Tracer. I recently learned that OSPRay is supposed to be more efficient at rendering large amounts of data. However, when I enable OSPRay, the atoms and bonds are not rendered anymore, while the streamlines remain visible. Does anybody have any experience with the CML reader? Am I supposed to enable additional lighting?

I am using Paraview 5.6.0 64-bit edition on CentOS with MPI enabled. NVidia GTX 980 Ti GPU is used for OpenGL rendering with the latest driver. A sample CML file is attached.

Best regards,

mol.cml (2.9 KB)

The ray traced rendering code path does not yet understand the vtkMolecule data structure that standard rendering uses. Please file a feature request on the issue tracker.

In the meantime, you can get part of the way there with the molecule to lines filter and the glyph to 2d Vertex filters. That will convert the data structure into two vtkPolyData with vtkPoints for atoms and vtkLines for bonds that the ray tracing code path does recognize. You can adjust the Point Size and Line Width controls on the advanced properties page to adjust the sizings.