Closed sverhoeven closed 1 month ago
Is your feature request related to a problem? Please describe. Have a scenario that does not do docking. Run workflow like https://github.com/haddocking/haddock3/blob/main/examples/scoring/capri-scoring-test.cfg where user upload multiple molecules and gets back score per molecule, residue, cluster
residue score needs alascan
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Describe alternatives you've considered A clear and concise description of any alternative solutions or features you've considered.
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Is your feature request related to a problem? Please describe. Have a scenario that does not do docking. Run workflow like https://github.com/haddocking/haddock3/blob/main/examples/scoring/capri-scoring-test.cfg where user upload multiple molecules and gets back score per molecule, residue, cluster
residue score needs alascan
Describe the solution you'd like A clear and concise description of what you want to happen.
Describe alternatives you've considered A clear and concise description of any alternative solutions or features you've considered.
Additional context Add any other context or screenshots about the feature request here.