OCD

OCD computes inter-domain orientations of immunoglobulin domains from user-provided reference structures to characterize spatial relationships relevant to antibody modeling and analysis.

Key Features:

• Transferable Approach: Employs a transferable methodology to calculate inter-domain orientations across various immunoglobulin domains using a reference structure.
• Automatic Coordinate System Creation: Automatically constructs a coordinate system for each domain based on a user-provided reference structure to enable accurate orientation characterization.
• Comprehensive Orientation Measures: Calculates six distinct measures that fully describe the inter-domain orientation.

Scientific Applications:

• Modeling and Engineering Antibody Therapeutics: Elucidates inter-domain orientations to support modeling and engineering of novel antibody therapeutics.
• Structural Analysis: Analyzes both single structures and molecular dynamics trajectories of immunoglobulin domains.

Methodology:

Automatically constructs coordinate systems from a provided reference structure, aligns these reference-derived coordinate systems onto sample domains, and computes six orientation measures.