Torsion_profiles
Performs a torsion scan for a defined dihedral using MacroModel and returns the energy profile.
22.2.4
See more details on https://kni.me/w/QHMlx5jEG_4E8BlC
Workflow
Torsion profiles
Used extensions & nodes
Created with KNIME Analytics Platform version 5.2.1 Note: Not all extensions may be displayed.
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KNIME AG, Zurich, Switzerland
Version 5.2.0
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KNIME AG, Zurich, Switzerland
Version 5.2.1
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KNIME AG, Zurich, Switzerland
Versions 4.6.0, 5.2.0
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KNIME AG, Zurich, Switzerland
Version 5.2.0
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KNIME AG, Zurich, Switzerland
Versions 4.6.0, 5.2.1
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Novartis
Version 4.9.1
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Schrödinger
Version 24.2.134
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