Have the energy thresholds be defined by residue instead of the sum of residues.

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

19 stars 6 forks source link

Have the energy thresholds be defined by residue instead of the sum of residues. #144

Closed joaomcteixeira closed 3 years ago

joaomcteixeira commented 3 years ago

Currently, the energy threshold refers to the sum of all individual energies. We could have it such it refers to the maximum energy of possible for each pair.