Molfile Reader

This node reads Molfiles (*.mol) from a directory and creates a row for each file. The row ID is either taken from the file name or extracted from the molecule itself. The node can also read gzipped files ending with *.mol.gz.

Options

Directory
The directory in which the Molfiles are
Use molecule name as row ID
If selected, the row ID will be the same as the molecules' titles. You have to ensure, that the titles are unique, otherwise the node will fail. If unchecked, the row ID is extracted from the file names (the part before the file type suffix).
Extract molecule name
If selected, the molecules' names are put into a column called 'Molecule name' in the output table. This option can be used together with the previous one.
Output column name
Enter the name of the column containing the molecules in the output table.

Input Ports

This node has no input ports

Output Ports

Icon
Table with the read molecules

Views

This node has no views

Workflows

Further Links

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.