Six- membered ring analysis

Easy to use analysis of a six-membered aliphatic ring in ligands present in protein complexes provided as Google Colab notebook For more details, read our manuscript:

Macnar, J. M., Brzezinski, D., Chruszcz, M., & Gront, D. (2022). Analysis of protein structures containing HEPES and MES molecules. Protein Science, 31(9), e4415.

data directory and pybioshell library, used in this project, are part of BioShell 3.0 bioinformatics toolkit. Current version of data can be found here.

This work has been supported by Polish National Science Centre (Grant No. 2019/35/N/ST6/04459 for Joanna M. Macnar)