NodeCompare Ligand Sets

Source

Compares and writes a file that contains a subset of structures in file1 and file2, depending on the selected mode

Backend implementation

compare_ligand_files.py
The script compare_ligand_files.py is used to implement this node.

Input Ports

  1. Port Type: Data
    First Input Molecules in Maestro format
  2. Port Type: Data
    Second Input Molecules in Maestro format

Output Ports

  1. Port Type: Data
    Output Molecules in Maestro format