Dihedral angles - how to calculate

Andrew Dalke dalke at ks.uiuc.edu
Fri Feb 21 10:52:30 EST 1997

Martyn Winn <m.d.winn at dl.ac.uk> said:
> And I think this [ambiguity] is what the original poster was
> worried about.

You know, that makes more sense.  I thought the ambiguity was in
getting the value (as compared to 90-value or 180-value; as with
the IUPAC change in the last 60s).

> the Fortram atan2 function

Or the C one ...

						dalke at ks.uiuc.edu

More information about the Xtal-log mailing list