Is it possible to transform molecular coordinates, so that, for example, all Z coordinates are nearly zero (for a planar molecule)?

To find the best fit of the molecule to the XY-plane and to minimize all Z-coordinates you can use View → Align (from Suite 2010) or Display → Align Atoms (earlier releases), which allows you to align atoms to a particular plane. To update the actual coordinates of the molecule (rather than just the Workspace view), click Update Coordinates in the Align Atoms panel.

Keywords: Maestro

Back to Search Results