Data Category pdbx_vrpt_instance_mogul_ring_outliers

General

Category name
pdbx_vrpt_instance_mogul_ring_outliers
Required in PDB entries
no
Category group membership
validation_report_group
Used in current PDB entries
No

Category Relationship Diagrams

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View full category relationship diagram including all dictionary data categories

Category Description

 
            Unusual ring conformation identified by Mogul. Mogul finds similar ring and works out the
            rmsd deviation of the ring torsion angles compared to the CSD similar rings.
            Each ring involves five or six atoms.
            The Mogul software (Bruno et al., 2004) works by comparing the ligand geometry
            with preferred molecular geometries derived from high-quality, small-molecule structures in 
            the Cambridge Structural pdbx_vrpt_database (CSD).