Difference between revisions of "DOCK GIST Parameters"
From Rizzo_Lab
| Line 23: | Line 23: | ||
|gist_score_gist_scale | |gist_score_gist_scale | ||
|The path to the fragment library for just linkers | |The path to the fragment library for just linkers | ||
| − | |-1 | + | |(-1) |
|- | |- | ||
|gist_score_gist_type | |gist_score_gist_type | ||
Revision as of 09:46, 20 May 2019
| Parameter | Description | Default |
|---|---|---|
| conformer_search_type | Choose between rigid, flex, covalent, denovo, genetic, HDB | Flex |
| gist_score_primary/descriptor_use_gist | The path to the fragment library for just scaffolds | |
| gist_score_att_exp | The path to the fragment library for just linkers | 6 |
| gist_score_rep_exp | The path to the fragment library for just linkers | 12 |
| gist_score_gist_scale | The path to the fragment library for just linkers | (-1) |
| gist_score_gist_type | The path to the fragment library for just linkers | trilinear |
| gist_score_grid_file | The path to the fragment library for just linkers | grid.dx |
| gist_score_Hydrogen_grid_file | The path to the fragment library for just linkers | grid_h.dx |
