Difference between revisions of "Parameter List"
From Rizzo_Lab
Stonybrook (talk | contribs) |
Stonybrook (talk | contribs) |
||
| Line 51: | Line 51: | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
| − | <td><span style="font-weight:bold">GRAPH</span> | + | <td><span style="font-weight:bold">GRAPH</span> dn_graph_max_picks</td> |
<td>The path to the fragment library for just scaffolds</td> | <td>The path to the fragment library for just scaffolds</td> | ||
<td> </td> | <td> </td> | ||
</tr> | </tr> | ||
| − | + | <tr> | |
| + | <td>dn_torenv_table</td> | ||
| + | <td>The path to the torsion environment .dat file</td> | ||
| + | <td> </td> | ||
| + | </tr> | ||
</table> | </table> | ||
Revision as of 10:41, 5 May 2017
| 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_torenv_table | The path to the torsion environment .dat file | |
| dn_sampling_method | which method will be used to choose fragments for each layer: exhaustive (ex), random, or graph | graph |
| GRAPH dn_graph_max_picks | The path to the fragment library for just scaffolds | |
| dn_torenv_table | The path to the torsion environment .dat file |
