WeNMR

WeNMR facilitates analysis of Nuclear Magnetic Resonance (NMR) and Small Angle X-Ray Scattering (SAXS) data to derive atomic and near-atomic resolution molecular structures.

Key Features:

• Integration of software packages: Consolidates multiple structural biology software tools for coordinated computational analysis of NMR and SAXS data.
• Standardized computational workflows: Provides established workflows for processing and analyzing NMR spectroscopy and SAXS datasets.
• Grid computing infrastructure: Distributes computational tasks across a Grid to enable scalable job submission and handling.
• Structure determination outputs: Produces atomic and near-atomic resolution molecular structure models from experimental NMR and SAXS data.

Scientific Applications:

• NMR spectroscopy data analysis: Processing and interpretation of Nuclear Magnetic Resonance datasets.
• SAXS data analysis: Processing and modeling of Small Angle X-Ray Scattering experimental data.
• Molecular structure determination: Derivation of atomic and near-atomic resolution structures from experimental data.

Methodology:

Consolidation of structural biology software into standardized computational workflows executed on a Grid computing infrastructure for distributed job submission and handling.