Add sidechain vector node feature

a-r-j / graphein

Protein Graph Library

https://graphein.ai/

MIT License

1.03k stars 131 forks source link

Add sidechain vector node feature #120

Closed a-r-j closed 2 years ago

a-r-j commented 2 years ago

Is your feature request related to a problem? Please describe. Add vector from node (CA, centroid, etc) to the centre of mass of the sidechain R-Group as node feature.