On Wed, 3 Feb 1999, Clive Delmonte wrote:
> Many algorithms have been used to determine oligonucleotide structure,
> such as, CORELS, DBLHLX, HELIX, NEWHELIX, NUCLSQ, SHELX93 and ULTIMA,
> for example. Doubtless it would be unfair merely to assume that all
> these programs, or the context of their use, incorporated directly or
> indirectly, explicitly or implicitly, an a priori acceptance of the
> DNA double helix, but, unfortunately, explicit details of the working
> of the algorithms, and the context of their use, do not seem to be
> widely and publicly available.
I'm not a crystallographer, but I just did a quick search for SHELX93
on Altavista. The page:
http://www.esrf.fr/computing/expg/asciidoc/shelx.doc
states:
> SHELXL-93 is provided in source form as well as precompiled PC
> versions. An application form is reproduced in Appendix F.
>> The program is available free to academics (and for a modest license
> fee to commercial institutions) subject to the condition that it is
> acknowledged in all publications which report structures refined with
> it.
You can't get much better details of how something works than the
source code. So why do you say this isn't "widely and publicly
available"?
Andrew
dalke at acm.org
