Molecule location

Kenneth Shankland ( k.shankland@rl.ac.uk )
Fri, 08 May 1998 18:24:35 +0100 (BST)

Whilst the subject of "molecule location" is back on the
agenda, I thought I'd slip in the fact that another paper
has just been published on the subject, with an interesting
twist...

K. Shankland, W.I.F. David, T. Csoka and L. McBride

Structure solution of Ibuprofen from powder diffraction
data by the application of a genetic algorithm combined
with prior conformational analysis

Int J Pharm 165 (1998) 117-126

Essentially, the structure solution process is accelerated
when torsional constraints derived from the Cambridge
Crystallographic Database are employed. A related paper
(Shankland et al, IJP 165 107-116) describes the prior
conformational analysis in full detail.

Best,

Kenneth

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Dr. Kenneth Shankland,ISIS Facility,Rutherford Appleton Laboratory
Chilton,Didcot,Oxon OX11 0QX,United Kingdom
Tel : +44 1235 44 6381
Fax : +44 1235 44 5720
E-Mail: k.shankland@rl.ac.uk
Date: 08-May-98
Time: 17:57:41
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