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Compare Conformational Search Methods

Molecular Mechanics MacroModel ConGen Conformational Search Parsing
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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]

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Created with KNIME Analytics Platform version 4.1.0
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    KNIME Core Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.7.1

    knime
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    Schrödinger Extensions for KNIME Trusted extension

    Schrödinger

    Version 19.4.7

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    schroedinger
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