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Article ID: 392 - Last Modified: July 28, 2011

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?

From Suite 2010 on, 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.

For these and earlier releases, you can invert the chirality by choosing Edit → Adjust → Chirality. In the "Chirality" tab of the Adjust panel, you can change the stereochemistry of a particular atom by picking the atoms involved.

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: chirality, change , invert, adjusting the stereochemistry, Maestro

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

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