No project description provided

Project description

SolutionSpaceScanner

SolutionSpaceScanner is a Python package implemented to generate ABSINTH parameter files that can be used for running solution space scanning simulations. Finalization of this repository is ongoing (including tests, final code changes etc).

This code accompanies the paper Controlling Structural Bias in Intrinsically Disordered Proteins Using Solution Space Scanning accepted for publication in J. Chem. Theory Comput. in January 2020 and initially posted to biorxiv on August 30th 2019 from the Holehouse and Sukenik labs.

Documentation

Documentation (installation and usage) can be found here.

Copyright

Acknowledgements

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).

Project details

Release history Release notifications | RSS feed

0.1.4

Mar 4, 2021

0.1.2

Sep 23, 2020

0.1.1

Sep 17, 2020

This version

0.1.0

Mar 31, 2020

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

solutionspacescanner-0.1.0.tar.gz (19.0 kB view hashes)

Uploaded Mar 31, 2020 Source

Hashes for solutionspacescanner-0.1.0.tar.gz

Hashes for solutionspacescanner-0.1.0.tar.gz
Algorithm	Hash digest
SHA256	`6493c4dfd0d0de2e83ef7e8bbb8d68e4de08bd80d749ad34a58231316b93872c`
MD5	`f2b18116e0c12a77a609262ecd9c4014`
BLAKE2b-256	`c0d9ec28a17c5dddef8fc505d80fb9d02330ef13552ee57000c21893983f3e36`