I have a problem.
Who Knows how to connect Schrodinger about "Glide Grid Generation" and "Glide Ligand Docking" on KNIME ?
My data type is PDB.
And my workflow is Molecule Reader -> protein Preparation Wizard -> Glide Grid Generation -> Glide Ligand Docking
Their types are different, so it always shows ERROR!
Who can help me?
Thanks a lot.
I handle this by creating a one time workflow to generate the grid and save it. After that is complete, put a 2nd workflow together that reads the new existing grid.
Molecule Reader > Protein prep > Glide Grid Generation
Workflow #2 (for docking ligands)
Molecule Reader (one for protein, one for ligands) > LigPrep (for ligands) > Glide Grid Reader > Glide docking > Molecule writer
That's how I do this.
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