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Hi all,
the function 'symmetry-operators' returns the symops for fractional
coordinates, but I did not find out how to get the fractional
coordinates of an atom in coot (python scripting).Is there one, or
what is the simplest way to apply the symmetry operators to e.g. an atom?
Related to this, does coot already have a function which places an
atom to the symmetry equivalent position which is closest to the
current centre (point of rotation)?
Cheers,
Tim
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Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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