Extract Atom/bond Properties

This node takes in structures in Maestro, Sdf and Mol2 formats and outputs the properties for the CTs, Atoms, and Bonds into three different output tables. This node also adds output properties to provide the relationships between CTs and its atoms and bonds. The CT has a property in the first column "ct-id" which starts at 1 and is incremented for every CT. The atoms and bonds also have a column "ct-id" that refers to the CT each item belongs. Since the atom and bond index in the Maestro format has no name, we simply set these properties to "atom-id" and "bond-id" respectively. By default, this node outputs all information from the CTs, Atoms, and Bonds.

Backend implementation

$SCHRODINGER/run proplister.py

Input ports

1. Type: Table
   Molecules in Maestro, Sdf or Mol2 format
   Molecules in Maestro, Sdf or Mol2 format

Output ports

1. Type: Table
   Molecule CT properties
   All CT properties of the input molecules
2. Type: Table
   Atom properties
   All atom properties of the input molecules
3. Type: Table
   Bond properties
   All bond properties of the input molecules