Difference between revisions of "DOCK VS Development Goals"
From Rizzo_Lab
| Line 16: | Line 16: | ||
|Add second layer of verbosity || utils, conf_gen_dn so far || LEP || Yes | |Add second layer of verbosity || utils, conf_gen_dn so far || LEP || Yes | ||
|- | |- | ||
| + | |Multigrid footprint text file formatting needs adjustment || || LEP || No | ||
|} | |} | ||
<br> | <br> | ||
Revision as of 09:22, 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 |
