Background to AQUA

AQUA is a suite of programs for Analyzing the QUAlity of biomolecular structures that were determined via NMR spectroscopy.

The AQUA package is being developed in the NMR Spectroscopy Department, Bijvoet Center for Biomolecular Research, Utrecht University.

Overall design: Ton Rullmann

Programming: Ton Rullmann and Jurgen Doreleijers

AQUA is being developed as part of the Biotech Validation Project. This project is a collaborative effort of 6 European laboratories, aiming to produce a coordinated and linked set of software modules that integrate a number of existing as well as new procedures and protocols for recording, communicating and validating the models resulting from 3-D structural studies on biomolecules.

The modules should also provide assessment of the intrinsic quality of the experimental data and the agreement between such data and the derived atomic models. An important part of the effort is directed at developing validation criteria by a systematic analysis of published structures. Software is made available to the community, by distributing source codes and data files, and by setting up a Validation Server on the World Wide Web. (Original location at EMBL Heidelberg. Mirror sites at EMBL-EBI Cambridge, and at PDB Brookhaven).

The Validation Project is being funded by the BIOTECH program of DGXII of the Commission of the European Union, under contract number BIO2CT-920524.