From lowrey@lsm.nrl.navy.mil  Sat Apr  3 14:33:57 1993
Date: Sat, 03 Apr 1993 19:33:57 EST
From: AL LOWREY <lowrey@lsm.nrl.navy.mil>
To: CHEMISTRY@ccl.net
Message-Id: <0096A7DF.62AF4E40.14945@lsm.nrl.navy.mil>
Subject: geometries for cysteine ?


LOOKING FOR AB INITIO GEOMETRIES FOR CYSTEINE

Dear Net,
          My colleauge Bob Williams and I are beginning a series of
studies on amino acid fragments containing cysteine.  We are
wondering if people have archived reference geometries for
cysteine,   particularly for the protonated form that
would exist in acidic solution.  We will be making frequency
calculations to compare with the results from the Raman spectrometer.
Any reference geometries would be appreciated.

                                           Al  Lowrey
                                Laboratory for the Structure of Matter

lowrey@lsm.nrl.navy.mil