New hartwig libraries: Difference between revisions

Revision as of 20:08, 4 May 2018

Hartwig libraries are ready for docking as follows

Each library is numbered <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

Latest info in the "Hartwig" tab of the curation sheet.

https://docs.google.com/spreadsheets/d/15c3SSevkfw2SJLDlZnuh64W6BZqYNhXfBgXKEHIZONE/edit?usp=sharing

@@ Line 1: / Line 1: @@
 Hartwig libraries are ready for docking as follows
-* Each library has a number <libnum>
+* Each library is numbered <libnum>
 * Libraries live in /nfs/db6/hartwig/build/<libnum>
 * complete "usual" sdi file is in /nfs/db6/hartwig/build/<libnum>/sdi
@@ Line 11: / Line 11: @@
 * 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
+Latest info in the "Hartwig" tab of the curation sheet.
+ https://docs.google.com/spreadsheets/d/15c3SSevkfw2SJLDlZnuh64W6BZqYNhXfBgXKEHIZONE/edit?usp=sharing