CCD Package

• CCD Analyzer
  • CCDDataManager
• Constants Generator
  • CCDConstantsGenerator
• Generate CCD Constants
  • main()
  • Script Usage
  • Default Output
  • Generated File Contents
  • Standard Residues Processed
  • Workflow
  • Example Output
  • Error Handling
  • Regeneration Guidelines
  • Integration with HBAT
  • Manual Verification

Data Storage

CCD data files are automatically downloaded and stored in:

• Default location: ~/.hbat/ccd-data/

• Files: cca.bcif (atoms) and ccb.bcif (bonds)

• Source: https://models.rcsb.org/

The data is cached locally for offline use and only downloaded when not present.