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Mol2 Writer

KNIME Chemistry Base nodes version 4.1.0.v201911110939 by KNIME AG, Zurich, Switzerland

Writes the molecules represented by Mol2 cells in one column to a local Mol2 file or a remote location denoted by a URL. The input needs to contain at least one column containing structures.
Note that if the destination location is a remote URL not all options are available because in general it's not possible to determine whether the remote location exists. In this case it will always be overwritten.

Options

Output file location
The destination location.
Overwrite OK
If unchecked, the node refuses to execute when the output file exists (prevent unintentional overwrite).
Mol2 structure column
The column that contains the Mol2 molecule.

Input Ports

Table, from which one structure column is written to an Mol2 file

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

To use this node in KNIME, install KNIME Base Chemistry Types & Nodes from the following update site:

KNIME 4.1
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