Chimera Commands Index
The invert command exchanges the positions of two substituents
of an atom, potentially inverting a chiral center.
Substituents of atoms that are not chiral centers can also be swapped.
The Invert section of
Structure is the corresponding graphical interface.
must contain exactly one or two atoms:
Any unintended results can be reversed by reissuing the same command.
- If a single atom is specified,
clicking Swap exchanges the positions of its two smallest substituents
based on number of atoms, or if those are the same, atomic weights of
the atoms directly bonded to the selected atom.
Implicit hydrogens on the selected atom are considered, but not those
on its substituents.
These rules are not meant to reproduce the much more complex
“priority” calculations used in chirality determination.
- If two atoms directly bonded to the same central atom are specified,
clicking Swap will exchange the positions of the substituents
rooted at those atoms.