Capabilities of HBexplore

HBexplore is a program for the geometrical analysis of hydrogen bonding patterns in biological macromolecules.

HBexplore calculates hydrogen atom coordinates according to standard geometrical rules and selects all potential hydrogen bonds according to geometrical criteria.

It offers an automatic or interactive analysis of a single structure or a joint analysis for a group of structures.

The analysis tools include the calculation of mean values and distributions of geometrical hydrogen bond parameters.

The donor and acceptor atoms are classified according to backbone, sidechain, base or water molecules.

The hydrogen bond interaction table identifies easily residues with no or an unusual large number of H-bonds.

The hydrogen bond cluster table shows the network of hydrogen bonds connecting individual residues and the residue type interaction matrix yields information on H-bonds between various residue types.

A description of the program and examples for its application are available in the following journal article:

K. Lindauer, C. Bendic, J. Sühnel,
HBexplore - a new tool for identifying hydrogen bonding patterns in biological macromolecules
Comput. Appl. Biosci. 12, 281-289 (1996). (PDF)

Back to the HBexplore home page (updated 9 - 01 - 1997)