Thanks very much for this information, Bob!
My next big goal will be to move FirstGlance over from PDB format to
mmCIF format. I think it will require a lot of recoding of old code
(brought in from Protein Explorer) that parses components of the PDB header.
Regards, Eric
On 6/18/15 11:51 AM, Robert Hanson wrote:
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 Sulphur
TITLE: Highly Ordered Crystals of the Plant Seed Protein Crambin
found biomolecule 1: A
Validations 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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