This is MOLE2.5 plugin for Pymol/Chimera macromolecular visualiyation systems. There is also a web version available.

This plugin allows you to calculate macromolecular channels within PyMOL and UCSF Chimera environments as well as load computation results from the web interface..

This plugin was developed some time ago when Python 2.x was still a thing, and as such it presently does not support modern versions of PyMOL and ChimeraX. Plugin was tested and should work with the following versions of the software:

• Pymol 1.8.x
• Chimera 1.x

Update of the plugin to support Python 3.x and ChimeraX is ongoing.

Please consult the manual to see how to install the software and how to use it.

• Ondřej Balcárek - Upgrade of the plugin to support MOLE 2.5, Chimera support

If you find this software usefull please cite:

[1] Sehnal, D., Svobodová Vařeková, R., Berka, K., Pravda, L., Navrátilová, V., Banáš, P., … Koča, J. (2013). MOLE 2.0: advanced approach for analysis of biomacromolecular channels. Journal of Cheminformatics, 5(1), 39. https://doi.org/10.1186/1758-2946-5-39