Code and Demo

The executable can be found in Rosetta/main/source/src/apps/public/hydrate/hydrate.cc

The SPaDES integration tests can be found in Rosetta/main/tests/integration/tests/hydrate/ Rosetta/main/tests/integration/tests/hydrate_relax/

Description

A full description of the algorithm can be found in

  • Jason K.Lai, Joaquin Ambia, Yumeng Wang, Patrick Barth. Enhancing Structure Prediction and Design of Soluble and Membrane Proteins with Explicit Solvent-Protein Interactions. Structure 25(11):1758-1770 (2017)

Contact

Questions and comments to: