options
PowerfitOptions
dataclass
Options for the Powerfit command.
from_args(parsed_args)
staticmethod
Create PowerfitOptions from parsed command line arguments.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
parsed_args
|
Namespace
|
Parsed command line arguments. |
required |
Returns:
| Name | Type | Description |
|---|---|---|
PowerfitOptions |
PowerfitOptions
|
An instance of PowerfitOptions populated with the parsed arguments. |
to_command(density_map, template, out_dir, powerfit_cmd='powerfit')
Generate command from options and given arguments.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
density_map
|
Path
|
Path to the density map file. |
required |
template
|
Path
|
Path to the template PDB file. |
required |
out_dir
|
Path
|
Directory to save the output files. |
required |
powerfit_cmd
|
str
|
Command to run Powerfit (default is "powerfit"). |
'powerfit'
|
Returns:
| Type | Description |
|---|---|
str
|
A string representing the command to run Powerfit. |