NodeConformer and Tautomer Predictor

Other

Generate the lowest energy tautomers or conformers (or both) for a set of structures, with optional protonation or deprotonation.

Backend implementation

"${SCHRODINGER}/jaguar" run AutoConf.py

Input Ports

  1. Port Type: Data
    Input in Maestro

Output Ports

  1. Port Type: Data
    Output in Maestro