psiphi

psiphi calculates φ (phi) and ψ (psi) backbone torsion angles from protein atomic coordinates to characterize protein secondary structure and conformational space.

Key Features:

• φ/ψ torsion angle calculation: Computes backbone φ and ψ torsion angles from protein atomic coordinates.
• EMBOSS integration: Implemented as part of the European Molecular Biology Open Software Suite (EMBOSS) to interoperate with other EMBOSS applications.
• EMBOSS C libraries: Built using EMBOSS's C programming libraries for core functionality.
• ACD configuration support: Supports ACD (Application Configuration Descriptor) files to configure application parameters and functionalities.
• EMBOSS API and wrapping support: Adheres to EMBOSS API programming guidelines and supports wrapping and porting of third-party applications.

Scientific Applications:

• Protein Structure Analysis: Enables analysis of protein folding, stability, and secondary-structure characterization via φ and ψ angle distributions.
• Structural Biology Research: Supports comparative studies of protein conformations and simulations of protein dynamics.

Methodology:

Computes φ and ψ torsion angles from protein atomic coordinates; implemented within EMBOSS using its C libraries and configurable via ACD files and the EMBOSS API.