New hartwig libraries: Difference between revisions
Jump to navigation
Jump to search
(asdf) |
(asdf) |
||
Line 8: | Line 8: | ||
* molecules are numbered H0xxx for <libnum> followed by 11 digits. | * 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 | * if you show John Hartwig the line from the dict file, he knows how to buy cmpds and make it | ||
* Each building block should be 100mg for $100 or less. Many are less. | |||
* If you find a broken molecule, or an expensive building block, please send the full compound number to me. |
Revision as of 02:52, 4 May 2018
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
- Each building block should be 100mg for $100 or less. Many are less.
- If you find a broken molecule, or an expensive building block, please send the full compound number to me.