Shape Toolkit Python Programming Manual

Previous: 4.3 OEColorForceField Up: 1 OEShape Programming Manual Next: 5.1 Starting positions for

---

 
5. Best Overlay

OEBestOverlay is the object use to maximize shape (and color) overlap between two objects. OEBestOverlay uses the same overlap function and color function as described earlier, but it optimizes the overlap between the reference and fit object. For speed, the default overlap settings for OEBestOverlay are to use the Grid overlap method (which implies the Carbon radius approximation) and hydrogens are ignored.

• 5.1 Starting positions for optimization
• 5.2 Ways to deal with OEBestOverlay results
• 5.3 Saving aligned structures
• 5.4 Using color along with shape

---

				Shape Toolkit Python Programming Manual

Previous: 4.3 OEColorForceField Up: 1 OEShape Programming Manual Next: 5.1 Starting positions for

---

Documentation released on June 4, 2008.