MolConverter

Options

Structure column

The column in the input data table containing structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Input Ports

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

Output Ports

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

Best Friends (Incoming)

• Molecule Type Cast (15 %) Streamable
• MarvinSketch (11 %) 
• SDF Reader (9 %) 
• Column Filter (4 %) Streamable
• Row Filter (4 %) Streamable
• Show all 296 recommendations

Best Friends (Outgoing)

• SDF Writer (12 %) 
• RDKit From Molecule (5 %) 
• CSV Writer (4 %) Streamable
• MarvinView (4 %) 
• Column Filter (4 %) Streamable
• Show all 441 recommendations

Workflows

• 01_​Example_​for_​using_​MoSS (KNIME Hub) 
• 01_​Example_​for_​using_​MoSS (KNIME Hub) 
• BindingDB_​FMCT-Fingerprint,batch (KNIME Hub) 
• BindingDB_​FMCT-Fingerprint+MCS (KNIME Hub) 
• BindingDB_​FMCT-MCS (KNIME Hub) 
• Show all 10 workflows

Installation

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

A zipped version of the software site can be downloaded here. Read our FAQs to get instructions about how to install nodes from a zipped update site.

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.