Hub
Pricing About
NodeNode / Manipulator

RDKit Add Conformers

Community NodesRDKitGeometry
Drag & drop
Like

Creates a new table with multiple conformers per input molecule. Each conformer is a copy of the molecule with different coordinates assigned. Each conformer row is mapped back to the input table molecule with an identifier - usually the row id - taken from an input table column.

Node details

Input ports
  1. Type: Table
    Input table with RDKit Molecules
    Input table with RDKit Molecules
Output ports
  1. Type: Table
    Result table
    Table with calculated conformers

Extension

The RDKit Add Conformers node is part of this extension:

  1. Go to item

Related workflows & nodes

  1. Go to item
  2. Go to item
  3. Go to item

KNIME
Open for Innovation

KNIME AG
Talacker 50
8001 Zurich, Switzerland
  • Software
  • Getting started
  • Documentation
  • Courses + Certification
  • Solutions
  • KNIME Hub
  • KNIME Forum
  • Blog
  • Events
  • Partner
  • Developers
  • KNIME Home
  • Careers
  • Contact us
Download KNIME Analytics Platform Read more about KNIME Business Hub
© 2025 KNIME AG. All rights reserved.
  • Trademarks
  • Imprint
  • Privacy
  • Terms & Conditions
  • Data Processing Agreement
  • Credits