On Feb 16, 2010, at 5:21 PM, Andrew Dalke wrote:
> I thought the first version was published in a journal article, and
> for the last 10 years I've not had problems getting the spec. There
> was a period where I had to give them my contact details, but that
> changed years ago.
In addition, John Barnard in
Structure Representation and Search, In Encyclopedia of Computational
Chemistry, Schleyer, P. von R.; Allinger, N. L.; Clark, T.; Gasteiger, J.;
Kollman, P. A.; Schaefer, H. F.; Shreiner, P. R. (Eds.). Wiley, Chichester, 4,
2818-2826
wrote:
Among the formats which, at the time of writing (April 1997), appear
to have some degree of general use, are:
* The Molfile and associated formats, developed by MDL Information
Systems, Inc., and maintained and supported by them as proprietary
commercial products, but whose description is made freely available
to other developers.
then goes on to list PDB, CIF/mmCIF, MIF, CXF, CML, and CEX as other connection
table formats.
So while Peter Murray Rust wrote:
> MDL were incredibly secretive and possessive about the MOL-file format.
I just don't see that in the historical record either.
Andrew
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