Eric, that's great. Are you utilizing Jmol's very powerful annotation features? These allow you access to the full information in the PDB validation suite, including close contacts, bad angles, and much more. It uses the /val extension and gets its information from EBI.
$ load =1crn/val *TITLE: Water structure of a hydrophobic protein at atomic resolution: Pentagon rings of water molecules in crystals of crambin.TITLE: Structure of the Hydrophobic Protein Crambin Determined Directly from the Anomalous Scattering of SulphurTITLE: Highly Ordered Crystals of the Plant Seed Protein Crambinfound biomolecule 1: AValidations loaded: property_types_of_outliers (residues: 3) property_bond_lengths (atoms: 2, max: 5.38) property_bond_angles (atoms: 6, max: 7.83)* $ select on property_bond_angles > 1 *6 atoms selected* I think you could do a lot with this. Bob
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