Difference between revisions of "Parameter List"
From Rizzo_Lab
Stonybrook (talk | contribs) (Created page with "<table style="width:100%"> <tr> <th>Input_Parameter</th> <th>Description</th> <th>Default_value</th> </tr> <tr> <td>Jill</td> <td>Smith</td> <t...") |
Stonybrook (talk | contribs) |
||
| Line 6: | Line 6: | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
| − | <td> | + | <td>Conformer Search Type</td> |
| − | <td> | + | <td>Choose between flex, rigid, or denovo docking</td> |
| − | <td> | + | <td>Flex</td> |
</tr> | </tr> | ||
<tr> | <tr> | ||
| − | <td> | + | <td>Dn fraglib scaffold file</td> |
| − | <td> | + | <td>The path to the fragment library for just scaffold fragments</td> |
| − | <td> | + | <td> </td> |
</tr> | </tr> | ||
| + | <tr> | ||
| + | <td>Dn fraglib linker file</td> | ||
| + | <td>The path to the fragment library for just linker fragments</td> | ||
| + | <td> </td> | ||
| + | </tr> | ||
| + | <tr> | ||
| + | <td>Dn fraglib sidechain file</td> | ||
| + | <td>The path to the fragment library for just sidechain fragments</td> | ||
| + | <td> </td> | ||
| + | </tr> | ||
| + | <tr> | ||
| + | <td>Dn user specified anchor</td> | ||
| + | <td>Does the user have a specific anchor to use with Dummy atom notated in the .mol2?</td> | ||
| + | <td>yes</td> | ||
| + | </tr> | ||
| + | <tr> | ||
| + | <td>Dn fraglib anchor file</td> | ||
| + | <td>The path to the anchor .mol2 file with attachment point notated as "Du"</td> | ||
| + | <td> </td> | ||
| + | </tr> | ||
| + | <tr> | ||
| + | <td>Dn use torenv table</td> | ||
| + | <td>Will torsion environment table be used for checking bond connectivity?</td> | ||
| + | <td>yes</td> | ||
| + | </tr> | ||
| + | <tr> | ||
| + | <td>Dn fraglib scaffold file</td> | ||
| + | <td>The path to the fragment library for just scaffolds</td> | ||
| + | <td> </td> | ||
| + | </tr> | ||
| + | |||
| + | |||
| + | |||
</table> | </table> | ||
Revision as of 10:31, 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 fraglib scaffold file | The path to the fragment library for just scaffolds |
