Action: FIT_TO_TEMPLATE
Module | generic |
---|---|
Description | Usage |
This action is used to align a molecule to a template. |
Further details and examples
Text from manual goes here
Syntax
The following table describes the keywords and options that can be used with this action
Keyword | Type | Default | Description |
---|---|---|---|
STRIDE | compulsory | 1 | the frequency with which molecules are reassembled |
REFERENCE | compulsory | none | a file in pdb format containing the reference structure and the atoms involved in the CV |
TYPE | compulsory | SIMPLE | the manner in which RMSD alignment is performed |
NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |