Softwares : Hydrogen Bond Anlysis Tool(HBAT)
Softwares : Hydrogen Bond Anlysis Tool (HBAT)
Discription :- HBAT is a tool to automate the analysis of strong and weak hydrogen bonds present in a PDB file. This tool can be implemented in active site interaction analysis, structure based drug design and molecular dynamics simulations. HBAT is written using PERL and TK languages. It is a user-friendly desktop tool, which offers the user freedom to select several parameters. The program generates an MSOFFICE Excel compatible output file for statistical analysis, provides distance-angle distributions across various geometry ranges while tabulation of frequencies for each residue, ligand, water, and also nucleic acids can be done easily for any kind of interactions. Cooperativity in hydrogen bond geometry can also be studied in a defined region of structure.
Prof. G. R. Desiraju Lab
School of Chemistry
University of Hyderabad