M. Ramek, C.-H. Yu, and L. Schäfer,
Ab initio conformational analysis of the model tripeptide
Can. J. Chem. 76, 566-575 (1998).
RHF/4-21G optimized conformers:
The following list contains links to all energy minima in the
potential energy surface, labeled by their absolute energy in Hartree. The
relative energy as well as intramolecular interactions (1-2, 1-3, or 1-4)
are indicated next to each link.
These links return the coordinates in
alchemy format, intended for interactive viewing via
As a prerequisite, RasMol has to be installed and
set up as a helper application of the WWW-browser,
as described on a page for GABA.
It appears that some versions of RasMol display an inverted image.
Since orientation may be crucial in the case of peptides, it is
recommended that the all-trans structure (fifth in the following list)
is compared to the graphic next to the above paragraph. If the RasMol
window shows the mirror image, switch to the alternate page, which shows