Missing tools

[simonbray]

• MDFP (https://pubs.acs.org/doi/10.1021/acs.jcim.6b00778), a package for extracting features from molecular dynamics trajectories, which can be used for machine learning applications.
• LigGrep (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00471-2), a tool for filtering protein-ligand docking output by presence/absence of particular chemical interactions.

[chrisbarnettster]

1. Lightdock or any open source protein-protein docking tools (https://lightdock.org/tutorials/)
2. https://github.com/bgruening/galaxytools/issues/1123 dpocket / mdpocket