New hartwig libraries: Difference between revisions

Revision as of 18:50, 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.
right now (May 4 noon) the following libraries are ready to dock: 202, 204, 197, 212, 213

@@ Line 5: / Line 5: @@
 * 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
+* 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.
+* If you find a broken molecule or an expensive building block, please send the full compound number to me.
+* right now (May 4 noon) the following libraries are ready to dock:  202, 204, 197, 212, 213