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HBPLUS v.3.06 - a hydrogen bond calculation program

Written by Ian McDonald

HBPLUS is a hydrogen bond calculation program that:

  • Calculates the geometries of all hydrogen bonds
  • Optionally lists of neighbour interactions
  • Calculates hydrogen positions
  • Deals with hydrogens that can occupy more than one position
  • Optionaly includes amino-aromatic H-bonds
  • Supports full customisation, eg of
    • H-bond criteria
    • Donor and acceptor atom types
  • Analyses H-bonding near Asn, Gln and His side-chains and suggests optimal conformations
  • Supports .hbplusrc files
  • Outputs PDB file including extrapolated polar hydrogen positions

Availability

Academic institutions

HBPLUS is freely available for academic use. Please complete the Confidentiality Agreement below, and post, fax or e-mail to Roman Laskowski (as given at the end of the agreement) to receive download instructions.

Confidentiality Agreement

HBPLUS Confidentiality Agreement

Contact

If you have any questions about HBPLUS or problems using it, please contact Roman Laskowski at roman@ebi.ac.uk.

Last modified: 5 August 2013