Dear All,
assuming the chiral volume definition with r() a Cartesian position vector
Vc = [r(N)-r(Ca)]*([r(C)-r(Ca)]x[r(Cb)-r(Ca)])
I always get about -0.65 A**3
Is this correct? Are there any target values?
In a SHELX manual I read + 2.5 for the chiral volume - seems to
be different.
(not to be confused with the pseudo-torsion target of +34 deg)
Thx, BR
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Bernhard Rupp
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http://www.ruppweb.org/
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