`contacts` module for creation of extended IDPCG database

julie-forman-kay-lab / IDPConformerGenerator

Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space

https://idpconformergenerator.readthedocs.io/

Apache License 2.0

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`contacts` module for creation of extended IDPCG database #249

Closed menoliu closed 3 months ago

menoliu commented 1 year ago

Cleans up #236 and adds option to create a database of inter- and intramolecular contacts along with analyses tools for contacts.

menoliu commented 4 months ago

Note: due to how conformer building protocol is designed, we cannot use multiprocessing to build multiple conformers of different sequences in one go. Setting global variables and conflicts... something to consider later.