DOCK GIST Parameters
From Rizzo_Lab
Parameter | Description | Default |
---|---|---|
conformer_search_type | Choose between rigid, flex, covalent, denovo, genetic, HDB | Flex |
gist_score_primary/descriptor_score | The path to the fragment library for just scaffolds | |
gist_score_att_exp | The path to the fragment library for just linkers | |
gist_score_rep_exp | The path to the fragment library for just linkers | |
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 |