Accelrys announces the release of software für efficient processing and analysis of NMR (nuclear magnetic resonance)

04-16-2002: San Diego, CA, Accelrys Inc., a wholly owned subsidiary of Pharmacopeia, Inc., announces the release of FELIX Desktop 2002, the new PC version of FELIX. FELIX is a widely used software package for off-line data processing, spectral visualization and analysis software for all types of high resolution, 1D to 4D, homonuclear and heteronuclear NMR data.

FELIX Desktop 2002 is built upon the foundations of a relational database, an extensive macro language, and an easy-to-use, multi-windowed, menu-driven interface allowing quick and easy performance of routine tasks.

FELIX comes equipped with dozens of built-in and tested data processing macros and import filters, allowing the processing of data acquired from any major NMR spectrometer. With an extensive range of algorithms for processing data and a powerful, flexible macro language, users have the freedom to choose how to process data and create novel solutions for the most sophisticated NMR data processing needs.

In addition, FELIX comes equipped with two specialized modules: the Assign module for semi- automated biomacromolecular resonance and peak assignment based on various combination of 2D and/or ND spectral data, and the Autoscreen module for high-throughput processing and analysis of 1D or 2D receptor-ligand interaction spectra. Autoscreen was formerly limited to 2D spectra, but now also has 1D capability. This allows the analysis of large volumes of 1D NMR data and thus allows for the study of high throughput metabonomics (role of metabolites in drug discovery).

FELIX Desktop 2002 comes with 4 modules:

· Felix-2D --Spectral processing and analysis of 1D and 2D NMR data · Felix-ND -- Spectral processing and analysis of multi-dimensional NMR data (1D to 4D) · Felix-Assign -- Semi- automated analysis and assignment of multi-dimensional NMR data of biomolecules · Felix- Autoscreen -- Automated processing and analysis SAR (structural activity relationship) by NMR-like experiments for probing protein-ligand interactions

FELIX works in a conventional and convenient Windows® environment, and offers broadly versatile NMR tools with computer-assisted, single-step data processing and quick accurate peak-picking capabilities. FELIX is part of a total solution for NMR structure determination.