pondělí 23. února 2009

Find 9 differences

Can you find nine differences in the following two pictures?

This is the difference between double bonds for which the second line is drawn using only 2D coordinates of the end atoms and for which the complete 3D geometry is used.
Because chemical drawings, unlike real molecules, are often flat, there was never much need for me to implement the better drawing method, especially when there are always many more important things to do. However this omission cropped up again when I rotated benzene in 3D during testing of new BKChem code that allows 3D rotation of molecular fragment around a particular bond. Because I had this feature on my to-do list for a long time anyway, I finally decided to dust off my basic knowledge of analytic geometry and implement this feature.
You can see the result on the pictures above.
Note: the pictures were created using OASA 0.12.7 and 0.13.0 respectively and a similar code is used in BKChem 0.13.0.

Žádné komentáře: