Schrödinger extension for KNIME Workbench version 18.104.22.168102141445 by Schrödinger
The allowed input types are: Maestro, Sequence, Alignment, Smiles, Mol2, Sd, Pdb, String, Integer, Double, Text, FingerPrint, CanvasMatrix, CanvasPLS, CanvasBayes, GlideGrid, Hypothesis, CMS or Trajectory.
The allowed output types are: Maestro, Sequence, Alignment, Smiles, Mol2, Sd, Pdb, String, Integer, Double, Text, FingerPrint, CanvasMatrix, CanvasPLS, CanvasBayes, GlideGrid, Hypothesis, Surface, CMS, Trajectory or QSARModel.Return code for the external process needs to be zero or else the node will fail.
Note: For the Hypothesis, Glide Grid and Trajectory types, since each cell represents a group of files, the input
and output variables (i.e., %input_1%, %output_1%) represent text files that have a file prefix on
each line. Therefore, the underlying script will parse these files to access the inputs and generate
a text file with a list of prefixes on each line to send the output back into Knime.
For GlideGrid, apart from mentioning the Grid prefix, user can also specify whether to save grid or not by appending "|save_grid" to the grid prefix in each line.
To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:
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.