Chiralator

Manipulator

Calculates the chirality for undefined stereo-centers. Each possible combination is stored in a separate output molecule.

Input Ports

  1. Type: Data
    Table containing all combinations of molecules

Output Ports

  1. Type: Data
    Table containing the molecules with opportune chirality

Extension

This node is part of the extension

LigandScout Extensions for the KNIME Workbench

v1.5.5

Short Link

Drag node into KNIME Analytics Platform