Chemical Structures File Reader
Use this node to read chemical structures stored on your hard drive. Different file formats are supported. These include, but are not limited to, Chemical Markup Language (CML) files; a number of Symyx (former MDL) formats - mol, sdf, rdf; SMILES; Tripos mol2 files; pdb; xyz; etc. See http://www.chemaxon.com/marvin/help/formats/formats.html for an extensive list.
- Type: Data The read chemical structures are output here. A column containing Chemaxon Molecule objects is always present. Depending on the configuration, a number of other columns - representing the read molecules in another string-based format or containing properties read from the input file - may be present as well.
- Type: Data The chemical molecules that failed to read are output here.