Difference between revisions of "DOCK VS Development Goals"
From Rizzo_Lab
| Line 10: | Line 10: | ||
|Add Tip3p atom type to dock ||vdw.defn fingerprint || LEP || Yes | |Add Tip3p atom type to dock ||vdw.defn fingerprint || LEP || Yes | ||
|- | |- | ||
| − | |Hide secondary scoring function permanently || | + | |Hide secondary scoring function permanently ||lots || LEP || Yes |
|- | |- | ||
|Merge GIST into latest dock ||grid, master_score, score_descriptor, score_gist || LEP || Yes | |Merge GIST into latest dock ||grid, master_score, score_descriptor, score_gist || LEP || Yes | ||
Revision as of 15:53, 1 March 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 |
