Schrödinger Nodes for Suite2018-1 version 0.0.1.7B27VcMf4_L7A58S5A8G55JS by Schrödinger
LigPrep generates high quality, all-atom 3D structures for large numbers of drug-like molecules, starting with 1D, 2D or 3D structures in SMILES, SD, Mol2 or Maestro format. The simplest use of LigPrep produces a single, low-energy, 3D structure with correct chiralities for each successfully processed input structure. LigPrep can also produce a number of structures from each input structure with various ionization states, tautomers, stereochemistries, and ring conformations.
For additional documentation on the available options see the Ligprep documentation.
To use this node in KNIME, install Schrödinger Nodes for Suite2018-1 from the following update site: