Port DSSP Features to new API

a-r-j / graphein

Protein Graph Library

https://graphein.ai/

MIT License

1.03k stars 131 forks source link

Closed a-r-j closed 3 years ago

a-r-j commented 3 years ago

This will take a little thought to do elegantly as the features are computed from sequence but assigned to nodes.

cch1999 commented 3 years ago

Have added main DSSP functions to dssp.py. Set up PR #43.

Outstanding tasks are:

[x] Decide where and how to make the decision to run the DSSP program.
[ ] Add pre-computing config to convert strings in the secondary_structure attribute to one hot encodings.