a-r-j / graphein

Protein Graph Library
https://graphein.ai/
MIT License
1.03k stars 131 forks source link

[Protein meshes] add base protein mesh functionality #34

Closed a-r-j closed 3 years ago

a-r-j commented 3 years ago

Added base protein mesh functionality.

It should be possible to play around a bit with the PyMOL command line options to come up with better configurations for batch processing several structures. It's a bit funny at the moment - sometimes PyMOL will fail to compute/output the mesh properly. Perhaps there's another way to compute these meshes - blender springs to mind? Having said that, I think the dedicated functionality PyMOL brings is worth the pain.