Structure validation
Name check.
Checks the nomenclature of torsion angles.
Coarse Packing Quality Control
Checks the normality of the local environment of amino acids
Anomalous bond lengths.
Lists bond lengths that deviate more than 4 sigma from normal.
Planarity.
Checks if planar groups are planar enough.
Highly likely peptide flips
Checks if peptide flips of any type are needed
Relaxed peptide flips
Checks if peptide flips of any type are needed
Fine Packing Quality Control
Checks the normality of the local environment of amino acids
Collisions with symmetry axes.
Lists atoms that are too close to symmetry axes.
Hand check.
Lists atoms with a chirality that deviates more than 4 sigma from normal.
Ramachandran plot evaluation.
Determines the quality of a Ramachandran plot.
Omega.
Checks if the distribution of omega angles is normal.
Proline puckering.
Checks if proline pucker falls in a normal range.
Anomalous bond angles.
Lists bond angles that deviate more than 4 sigma from normal.
Checking water and ion switches.
Lists ions that might be waters (and vice versa), or other ions.
If you have detected any error, or have any question or suggestion, please send an Email to Gert Vriend.
Roland Krause, Maarten L Hekkelman, Jens E Nielsen,
Gert Vriend
.
Last modified Mon Jan 29 12:33:00 2018