SolutionSpaceScanner is a Python package implemented to generate ABSINTH parameter files that can be used for running solution space scanning simulations.
SolutionSpaceScanner accompanies the paper Controlling Structural Bias in Intrinsically Disordered Proteins Using Solution Space Scanning (Holehouse & Sukenik JCTC).
SolutionSpaceScanner was developed by the Holehouse and Sukenik labs.
pip install solutionspacescanner
Documentation (installation and usage) can be found here.
Holehouse, A. S. & Sukenik, S. Controlling Structural Bias in Intrinsically Disordered Proteins Using Solution Space Scanning. J. Chem. Theory Comput. 16, 1794–1805 (2020).
Copyright (c) 2017-2020, Alex S. Holehouse & Shahar Sukenik
Project based on the Computational Molecular Science Python Cookiecutter version 1.0. The development of SolutionSpaceScanner was supported by the Molecular Sciences Software Insitute (MOLSSI).