_images/logo.svg

A Molecular Systems MultiToolkit designed to simplify work with molecular models and simulations.#

https://img.shields.io/badge/release-v0.11.2-white.svg https://img.shields.io/badge/license-MIT-white.svg https://img.shields.io/badge/install%20with-conda-white.svg https://img.shields.io/badge/python-3.10%20%7C%203.11%20%7C%203.12-white.svg https://img.shields.io/badge/DOI-10.5281/8092688-white.svg

Install it#

conda install -c uibcdf molsysmt

Use it#

import molsysmt as msm

molecular_system = msm.convert('1BRS', selection='molecule_type=="protein"')

msm.info(molecular_system, element='molecule')

msm.view(molecular_system, selection='molecule_index==0', viewer='NGLView')

Citation#

Citing the Zenodo DOI of MolSysMT in addition to the scientific paper is a way to ensure that others can reproduce your results, as they will know exactly which version of the software you used.


Coming soon…

BibTeX