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NDDO charges

LiveDesign LigPrep Schrodinger
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Returns 3D structure with labels of partial charges on heavy atoms and polar hydrogen. Semiempirical (NDDO) charges are applied. 22.2.0

Used extensions & nodes

Created with KNIME Analytics Platform version 4.5.1 Note: Not all extensions may be displayed.
  • KNIME Base Chemistry Types & Nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.0

    knime
  • KNIME Base nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.1

    knime
  • KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

    knime
  • Schrödinger Extensions for KNIME Trusted extension

    Schrödinger

    Versions 22.1.100, 22.2.110, 22.2.117, 22.2.128

    Schrodinger - https://www.schrodinger.com profile image
    schroedinger
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