Node Connectivity
There are 3029 nodes that can be used as successor
for a node with an output port of type 
Table.
Generate Smarts
Generate a SMARTS pattern for each input molecule
Entropy Calculation
This script calculates an entropy and Boltzmann-weighted energy (in kJ/mol) for multi-entries.
Volume Overlap Matrix
Calculates a matrix of overlapping volumes between structures.
Boltzmann Population
Calculate a Boltzmann population for selected entries and add it as a property
SD Format Checker
Checks the format of input molecules in SD format
Set PDB Name
PDB Name Assignment
Job Control
Displays the job information for the given job ids.
Postmortem
Prepares the postmortem information for the given job ids as a zipped archive.
CombiGlide Library Enumeration Deprecated
Develop a library of ligands from a core structure to which molecular fragments called attachments are added in user-specified positions. The attachments […]
ConfGen Deprecated
Macromodel conformational search using Ligand Torsion Search