WIWS

WIWS provides over 1600 web services derived from the WHAT IF software package for macromolecular analysis, visualization, modeling, and structure validation of protein structures.

Key Features:

• Modular Design: Leverages the modular architecture of WHAT IF to expose a suite of programmatically accessible web services.
• Extensive Function Set: Offers over 1600 distinct functions covering macromolecular analysis, visualization, modeling, and validation.
• Structure Quality Assessment: Implements tools for evaluating and validating protein structure quality.
• Symmetry Handling in Crystallography: Includes functions to utilize crystallographic symmetry for more accurate modeling and analysis.
• Structure Correction and Optimization: Performs correction and optimization of macromolecular structures to improve model reliability.
• Hydrogen Addition and Bond Optimization: Adds hydrogens to molecular structures and optimizes hydrogen bonds.
• Geometric Calculations: Provides a suite of geometric calculations for detailed analysis and manipulation of macromolecular data.

Scientific Applications:

• Protein Structure Bioinformatics: Supports tasks in protein structure bioinformatics, including quality assessment and validation.
• Modeling and Optimization: Enables complex modeling and optimization workflows for macromolecular structures.
• Crystallographic Analysis: Assists crystallographic studies through symmetry-aware modeling and analysis.
• Structure-based Drug Design: Provides structural manipulation and validation capabilities relevant to structure-based drug design.

Methodology:

The services conform to the WS-I profile and EMBRACE technical guidelines, are exposed via REST and SOAP, and run on a dedicated computational cluster.