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CCDC GOLD Export Results

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Draft Latest edits on 
Aug 26, 2020 2:25 PM
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This component exports GOLD solutions in the input table to a specified directory as MOL2 files. The export directory must exist and must be empty. The GOLD solution column must be called 'gold_soln', i.e. as named by the 'Run GOLD' component. All other columns are included as data items. Optionally, Hermes may be started the exported solutions displayed.

Component details

Input ports
  1. Type: Table
    The input table must include a column, called 'gold_soln', which contains the GOLD docking solutions.

Used extensions & nodes

Created with KNIME Analytics Platform version 4.1.3
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    KNIME Python Integration

    KNIME AG, Zurich, Switzerland

    Version 4.1.3

    knime
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    KNIME Quick FormsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.1.3

    knime

This component does not have nodes, extensions, nested components and related workflows

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