New hartwig libraries: Difference between revisions
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Hartwig libraries are ready for docking as follows | Hartwig libraries are ready for docking as follows | ||
* Each library | * Each library is numbered <libnum> | ||
* Libraries live in /nfs/db6/hartwig/build/<libnum> | * Libraries live in /nfs/db6/hartwig/build/<libnum> | ||
* complete "usual" sdi file is in /nfs/db6/hartwig/build/<libnum>/sdi | * complete "usual" sdi file is in /nfs/db6/hartwig/build/<libnum>/sdi | ||
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* 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 | * 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 |
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