New hartwig libraries
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Hartwig libraries are ready for docking as follows
- Each library has a number <libnum>
- Libraries live in /nfs/db6/hartwig/build/<libnum>
- complete "usual" sdi file is in /nfs/db6/hartwig/build/<libnum>/sdi
- contents and size of each directory is in /nfs/db6/hartwig/README
- recipe for BB and reaction used to build can be decoded from . /nfs/db6/hartwig/reference/<libnum>-a.dict
- molecules are numbered H0xxx for <libnum> followed by 11 digits.
- if you show John Hartwig the line from the dict file, he knows how to buy cmpds and make it