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Article ID: 472 - Last Modified: May 11, 2011

I can't seem to be able to move the ligand independently of the complex. I have both the metal center and a ligand in the Workspace but I see only one entry in the Project Table. How do I do this?

Having just a single entry doesn't mean that you can only move the complex as a whole. To move the ligand or the metal independently, use the Transform (Local transformation) toolbar button. Choose Molecule from the button's menu (click and hold), then pick an atom in the ligand. You can then move just the ligand. Be aware that this will change the ligand's coordinates.

Note also that if you have zero-order bonds joining the ligand and the metal or the receptor, the zero-order bonds are counted when figuring out what the molecule is. From Suite 2010 on, you can turn off the option "Include zero-order bonds when defining molecules" in the Preferences panel (Maestro → Preferences) so that these bonds don't count when determining what is a molecule. Or you can delete the zero-order bonds from the Delete button.

If you do want to split the entry for the complex into separate entries for the different parts, use Entry → Split in the Project Table panel. The original entry is preserved, and new entries are created for the components.

Keywords: move ligands independently, local transformation, Maestro

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