How do you flip the handedness of a molecule? I need to overlap two molecules that are numbered the same but have different handedness. Cheers, Mike <<< ------------------------------------------------------------------------>>> Dr. Michael W. Day Director - X-ray Crystallography Lab & Molecular Observatory California Institute of Technology Mail Code 139-74 Pasadena, CA 91125 <>< <>< <>< <>< <>< <>< <>< <>< <>< <>< Beckman Institute, Room 116 Phone: (626) 395-2734 Fax: (626) 449-4159 e-mail: mikeday@caltech.edu <<< ------------------------------------------------------------------------>>>
On Sep 2, 2010, at 12:16 PM, Michael Day wrote:
How do you flip the handedness of a molecule?
I need to overlap two molecules that are numbered the same but have different handedness.
Hi Mike, I don't think there's a way to do this without resorting to Python code. Nonetheless, it can be done with pretty simple Python code. The code below will invert the handedness of currently selected models by inverting the X coordinate. Put the code in a .py file and open it with File...Open or with the "open" command, or type the code into the IDLE interpreter (under Tools...General Controls). import chimera for m in chimera.selection.currentMolecules(): for a in m.atoms: crd = a.coord() crd.x = -crd.x a.setCoord(crd) --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu
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