Difference between revisions of "DOCK GIST Parameters"
From Rizzo_Lab
(Created page with "{| class="wikitable" |- ! Parameter ! Description ! Default |- | conformer_search_type | Choose between rigid, flex, covalent, denovo, genetic, HDB | Flex |- | gist_score_pri...") |
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| Line 9: | Line 9: | ||
| Flex | | Flex | ||
|- | |- | ||
| − | | gist_score_primary/ | + | | gist_score_primary/descriptor_use_gist |
| The path to the fragment library for just scaffolds | | The path to the fragment library for just scaffolds | ||
| | | | ||
| Line 15: | Line 15: | ||
|gist_score_att_exp | |gist_score_att_exp | ||
|The path to the fragment library for just linkers | |The path to the fragment library for just linkers | ||
| − | | | + | |6 |
|- | |- | ||
|gist_score_rep_exp | |gist_score_rep_exp | ||
|The path to the fragment library for just linkers | |The path to the fragment library for just linkers | ||
| − | | | + | |12 |
|- | |- | ||
|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 |
|- | |- | ||
|gist_score_gist_type | |gist_score_gist_type | ||
|The path to the fragment library for just linkers | |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 | ||
Revision as of 09:45, 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 | |
| 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 |
