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MolImporter

StreamableChemAxon/Infocom JChem Extensions version 4.0.0.v192100 by Infocom Corporation

The input file format is guessed automatically. Many different formats are supported like "mol", "rgf", "sdf", "rdf", "csmol", "csrgf", "cssdf", "csrdf", "mol2", "cml", "mrv", "smiles", "cxsmiles", "pdb", "xyz", "cube", "name". MolImporter can also import gzip compressed and base64 encoded structures.

Options

Filename
The path to the input file.
Check whole file for field names in selected file
To support connecting the corresponding field names and column names, the program will detect field names in the file. If the file is too big, checking may be time consuming. Use the Check whole file for field names in selected file check box and the Number of lines to check input box to decide whether you want the whole file or just a given number of lines to be searched for field names.

Output Ports

Output table that contains read structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install ChemAxon/Infocom JChem Extensions Feature from the following update site:

KNIME 4.1
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