The following node is available in the Open Source KNIME predictive analytics and data mining platform version 2.7.1. Discover over 1000 other nodes, as well as enterprise functionality at
http://knime.com.
Rxn/RD Reader
This node reads one or more Rxn/RD files and creates several columns with each reaction in a new row. You
can select which parts of the reaction should be extracted into columns in the output table.
RD file support is limited to embedded Rxn files ($RFMT entries) and not thoroughly tested because of the
lack of publicly available RD files. Moreover, it only extracts the Rxn-parts from the RDfiles.
Dialog Options
- Input sources
- Here you can select several input sources. They can be files (selectable with the
Browse-button) or an URL. You can delete or reorder the source locations in the list. Empty location
will be
ignored.
- Use reaction name as row ID
-
Instead of generating row IDs, the reactions'' names are taken as row IDs. You have to
make
sure, that the names are unique, otherwise the node will fail.
- Extract reaction name
-
If selected, the reactions' names are put into a column called 'Reaction name' in the
output
table.
This option can be used together with the previous one.
- Add column with source location
-
Enabling this option will add a column showing the source location for each reaction.
- Extract counts
-
If you are interested in the reactant and products counts as they are stored inside
the file
you can select this option.
Ports
Output Ports
0 |
Table with the read reactions |
1 |
Table with illegal Rxn records |
This node is contained in KNIME Chemistry Base nodes
provided by KNIME GmbH, Konstanz, Germany.