Parameter List
From Rizzo_Lab
Revision as of 10:31, 5 May 2017 by Stonybrook (talk | contribs)
| Input_Parameter | Description | Default_value |
|---|---|---|
| Conformer Search Type | Choose between flex, rigid, or denovo docking | Flex |
| Dn fraglib scaffold file | The path to the fragment library for just scaffold fragments | |
| Dn fraglib linker file | The path to the fragment library for just linker fragments | |
| Dn fraglib sidechain file | The path to the fragment library for just sidechain fragments | |
| Dn user specified anchor | Does the user have a specific anchor to use with Dummy atom notated in the .mol2? | yes |
| Dn fraglib anchor file | The path to the anchor .mol2 file with attachment point notated as "Du" | |
| Dn use torenv table | Will torsion environment table be used for checking bond connectivity? | yes |
| Dn fraglib scaffold file | The path to the fragment library for just scaffolds |
