Perform a variety of key operations on 3D structures.

Analyse Secondary Structure, Topology, Protein Quality, Loop classification, Accessibility, Hydrogen bonds and Motifs.

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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.



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.

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Automatically calculates and draws a 2D representation of all the hydrogen bonding in a protein based on secondary structure data calculated by Promotif



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.

I.K. McDonald and J.M. Thornton (1994) JMB 238:777-793
"Satisfying Hydrogen Bonding Potential in Proteins"

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A simplification of the Hera output showing more figuratively the layout of protein secondary structure elements.



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