Open sverhoeven opened 2 months ago
See haddock3 example at https://github.com/haddocking/haddock3/blob/main/examples/docking-protein-ligand-shape/docking-protein-ligand-shape-full.cfg . It has a multi model pdb file with the ensembl of ligands.
Need to figure out how to handle the ligands, for example a multi file upload and ngl viewer with toggles to hide/show
Possible scenario:
Lots of server code that haddock2.4 and @VGPReys have, will need to be made available to the webapp as a webservice.
Create a scenario page for the https://www.bonvinlab.org/education/HADDOCK24/shape-small-molecule tutorial.
It would be nice if you could
Continuation of #29