PURY Based Hetero Molecules' Geometry Validation Server.
Ligands Den is a web-based tool for interactive validation of small molecule ligands in complexes with macromolecular structures has been made available to public use (for holders of CSD license). The validation server is based on PURY database of geometric restraints of hetero molecules (Andrejasic et al., 2008) which is derived from crystal structures of small molecules deposited in CSD by statistical analysis. Bond length and bonding angles of deposited molecules are compared with their corresponding PURY targets. Validation report is based on deviation from the target value measured in standard deviations of each particular term. The under laying software has been used to validate geometry of hetero compounds already deposited in PDB.
VALIDATED DEPOSITORY of PDB