Difference between revisions of "DOCK VS Development Goals"
From Rizzo_Lab
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|Create an RNA test set using systems suggested by Al-Hashimi|| || Rodger, John || No | |Create an RNA test set using systems suggested by Al-Hashimi|| || Rodger, John || No | ||
|- | |- | ||
| − | |RDKit | + | |RDKit integration with DOCK || || LEP || |
|} | |} | ||
<br> | <br> | ||
Revision as of 09:32, 13 May 2019
| Tasks | src | Owner | Complete? |
|---|---|---|---|
| Fix bug that prints out 2/3 sigfigs instead of 6 for MW and FC | library_file, filter, amber_typer | LEP | Yes |
| Add Tip3p atom type to dock | vdw.defn fingerprint | LEP | Yes |
| Hide secondary scoring function permanently | lots | LEP | Yes |
| Merge GIST into latest dock | grid, master_score, score_descriptor, score_gist | LEP | Yes |
| Add second layer of verbosity | utils, conf_gen_dn so far | LEP | Yes |
| Multigrid footprint text file formatting needs adjustment | LEP | No | |
| Add the DUDE systems created by Jiaye, Brian, and Yuchen to the standard DOCK test set | No | ||
| Create an RNA test set using systems suggested by Al-Hashimi | Rodger, John | No | |
| RDKit integration with DOCK | LEP |
