RDKit Nodes for Knime version 4.0.1.v202006261025 by NIBR
Aligns the 3D model of two structures based on their shape and three-dimensional conformation. The structure taken from table 1 will be aligned to a reference structure taken from table 2. If reference table 2 contains only a single row all query molecules of table 1 will be aligned to this single structure. If reference table 2 contains more than one row, the alignment will be performed row by row until one of the tables has no more rows to process. If the passed in molecules have no conformation, it will be calculated.
To use this node in KNIME, install RDKit KNIME JUnit Test from the following update site:
A zipped version of the software site can be downloaded here.
You don't know what to do with this link? Read our NodePit Product and Node Installation Guide that explains you in detail how to install nodes to your KNIME Analytics Platform.
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.
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to firstname.lastname@example.org, follow @NodePit on Twitter, or chat on Gitter!
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.