# Distance Geometry Algorithm

1. Obtain a conformation with desired bond lengths & angles
2. Create and initialize a distance bounds matrix (DBM)
3. Set all minimum distances in DBM from VDW radii
4. Set all 1-2 and 1-3 distances in DBM from the conformation
5. Set all 1-4 distances in DBM for known torsion constraints
6. Record planar (0) and chiral (signed) volume constraints
7. Smooth DBM using triangle [and tetrangle] inequality
8. Select in-range distances randomly or by partial metrization
9. Transform DBM to metric matrix (MM)
10. Embed MM in 4-space (if unable, go to 8)
11. Minimize bounds violations in 4-space (else, go to 8)
12. Minimize 4th dimension violations leaving 3-D conformation
13. Evaluate distance and volume bounds violations
14. Add resulting conformation and errors to output
15. If more conformations are need, repeat from 8

## Strength and Weaknesses

• The strength of distance geometry is its rapid and effective sampling of conformation space.
• It's weakness is that the conformations are not high quality with respect to energy or chemical common sense.