Knowledge Base

Article ID: 392 - Last Modified:

To change the chirality of a particular carbon atom, say, in a steroid skeleton, I would have to break a bond next to it, adjust the dihedral angle of the other attaching atom and re-connect to the opposite chirality mode. Is there an easier way to accomplish this?

The easiest way to do this is to use the "R/S" (Invert chirality or flip ring substituents) button on the Build toolbar to pick the chiral center to invert.

This mechanism does not work for a chiral atom at the junction of two fused rings. In this case you can use the "Local transformation" tool to move the attached group to the other side of the fused ring structure, adjust the rings, and then do a geometry cleanup to allow the new structure to relax.

Keywords: adjusting the stereochemistry, Maestro

Related Articles:

#1551: How do I change the chirality of a molecule in Maestro?

Back to Search Results

Was this information helpful?

What can we do to improve this information?

To ask a question or get help, please submit a support ticket or email us at
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles