Merge multiple 2D/3D Mol/SDF file to 1 3D SDF 3D Convertor with CDK or MMFF Geometry Optimizations Input: Define a directory or folder containing 2D or 3D chemical structures in MOL format. You could choose the file names as the ID if you wanted to convert to 1 SDF file. or You could load 1 SDF file or multiple SDF files. And choose which field or property to be considered. 2D SDF or if you want to merge multiple SDF files to 1 SDF you could use this node as a reader. Output: SDF, CSV files | 3D and Table Viewer Options: You could save in MOL files, consider SMILES and other formats using different freely avaialble KNIME nodes.
Used extensions & nodes
Created with KNIME Analytics Platform version 4.3.2
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