Structural Analysis Toolkit
Perform a variety of key operations on 3D structures.
Analyse Secondary Structure, Topology, Protein Quality, Loop classification, Accessibility, Hydrogen bonds and Motifs.
Procheck
Calculates core data including bond angles and lengths, torsion angles as well as hydrogen bonds and secondary structure assignments.
Procheck assesses the quality of a 3D structure (the functionality for which it is best known) by comparing properties of an individual structure to statistics generated from known high quality structures.
Hera
Automatically calculates and draws a 2D representation of all the hydrogen bonding in a protein based on secondary structure data calculated by Promotif
Topology
A simplification of the Hera output showing more figuratively the layout of protein secondary structure elements.
Naccess
This is a text-book implementation of the Lee and Richard accessibility calculation. This robust algorithm generated both atom and residue accessibilities which are expressed as both absolute and relative values.
HBplus
Hydrogen bonds depend on both distance and angle. This was the first program to apply both constraints. HBPlus is used as the default input to Ligplot+. For more information on HBplus see the following publication.
Promotif
Takes secondary structure output, calculates a set of structural features:
beta and gamma turns
helical geometry and interactions
beta strands and sheet topology
beta bulges
beta hairpins
beta-alpha-beta units
psi-loops
main-chain hydrogen bonding patterns