The following node is available in the Open Source KNIME predictive analytics and data mining platform version 2.7.1. Discover over 1000 other nodes, as well as enterprise functionality at http://knime.com.
Node that converts all cells of a chosen string column into several one of several molecule types, such as Mol2, PDB, SDF, SLN, Smiles, Smarts, or Rxn. This node does no syntactic or other validation of the structure itself.
This node will replace the column from the input table.
0 | Table containing structure information as strings. |
0 | Table with replaced column holding specific molecular type. |