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Glide Ensemble Merge

Schrödinger extension for KNIME Workbench version 20.3.139.202008121324 by Schrödinger

Glide Ensemble Docking Merge postprocessing script. This script combines sorted Glide pose viewer files into output files sorted by GlideScore.

Backend implementation

utilities/glide_ensemble_merge
The command line tool glide_ensemble_merge is used to implement this node.

Input Ports

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Pose viewer file 1 in Maestro format
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Pose viewer file 2 in Maestro format

Output Ports

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Posed molecules in Maestro format
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Receptor molecules in Maestro format

Views

Std output/error of glide_ensemble_merge
Std output/error of glide_ensemble_merge

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:

KNIME 4.2
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Developers

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