Run a conformational search with various methods and compare the lowest energy conformers. Parse the log file to extract relevant information.
[Requires: MacroModel, ConfGen] [Keywords: conformational search, parsing]
Workflow
Compare Conformational Search Methods
Used extensions & nodes
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KNIME AG, Zurich, Switzerland
Version 3.7.1
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Schrödinger
Version 19.4.7
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