Variable Based MolImporter

This Node Is Deprecated — This node is kept for backwards-compatibility, but the usage in new workflows is no longer recommended. The documentation below might contain more information.

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

Location variable name
Select the name of the variable that holds 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.

Input Ports

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No description for this port available.

Output Ports

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

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Installation

To use this node in KNIME, install the extension ChemAxon/Infocom JChem Extensions Feature from the below update site following our NodePit Product and Node Installation Guide:

v5.4

A zipped version of the software site can be downloaded here.

Plugin provider: Infocom Corporation
Plugin version: 4.7.0.v240300
On NodePit since: 2024-12-06
Last update: 2024-12-21
Tags: Deprecated
KNIME versions: v5.4, v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0

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