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 ----------------------------------------------------------------- Bernhard Rupp [email protected] http://www.ruppweb.org/ ----------------------------------------------------------------- The hard part about playing chicken is to know when to flinch -----------------------------------------------------------------
