Useful Links

Databases

The following sites have coordinates of many ligands. The PDB files available using elbow.get_pdb come from the MSD Chemistry site.

MSD Ligand Chemistry
Consistent and enriched library of ligands, small molecules and monomers that are referred as residues and hetgroups in any PDB entry (6989 currently in the database - Release:28-2006_06_25)
HIC-Up
Hetero-compound Information Centre - Uppsala

Inputs

e-LBOW will optimise geometries from the following websites.

PRODRG
A ligand building website
JME Molecular Editor Home Page
A Java Molecular Editor created by Peter Ertl at Novartis Pharma AG.