3. Command line interface#
aesp is a tool for structure prediction
usage: aesp [-h] [-v]
{submit,gui,resubmit,download,analysis,status,watch,terminate,stop,suspend,delete,retry,resume}
...
3.1. Named Arguments#
- -v, --version
show program’s version number and exit
3.2. Valid subcommands#
- command
Possible choices: submit, gui, resubmit, download, analysis, status, watch, terminate, stop, suspend, delete, retry, resume
3.3. Sub-commands#
3.3.1. submit#
Submit aesp workflow
aesp submit [-h] config
3.3.1.1. Positional Arguments#
- config
the config file in json format defining the workflow.
3.3.2. gui#
gui aesp workflow
aesp gui [-h] [-d DESTINATION]
3.3.2.1. Named Arguments#
- -d, --destination
specify the path to the results folder
Default:
['./results']
3.3.3. resubmit#
Submiting aesp workflow resuing steps from an existing workflow
aesp resubmit [-h] [-s STEPID [STEPID ...]] config id [id ...]
3.3.3.1. Positional Arguments#
- config
the config file in json format defining the workflow.
- id
the ID of the existing workflow.
3.3.3.2. Named Arguments#
- -s, --stepid
specify which Steps (id) to reuse.
3.3.4. download#
Dwnloading aesp files from an existing workflow
aesp download [-h] [-s STEPID [STEPID ...]] [-d DESTINATION] [-i] [-o] config id
3.3.4.1. Positional Arguments#
- config
the config file in json format defining the workflow.
- id
the ID of the existing workflow.
3.3.4.2. Named Arguments#
- -s, --stepid
Determining which Steps will be downloaded.
- -d, --destination
Specify the path to the downloaded file
Default:
['./downloads']- -i, --input
Input
Default:
False- -o, --output
Output
Default:
False
3.3.5. analysis#
Dwnload aesp workflow resuing steps from an existing workflow
aesp analysis [-h] [-i] [-t] [-d DESTINATION] config id
3.3.5.1. Positional Arguments#
- config
the config file in json format defining the workflow.
- id
the ID of the existing workflow.
3.3.5.2. Named Arguments#
- -i, --init
init
Default:
False- -t, --train
train
Default:
False- -d, --destination
specify the path to the results folder
Default:
['./results']
3.3.6. status#
show the status of the aesp workflow
aesp status [-h] [-s] [-d DESTINATION] config id
3.3.6.1. Positional Arguments#
- config
the config file in json format.
- id
the ID of the existing workflow.
3.3.6.2. Named Arguments#
- -s, --step
show the status of each Step
Default:
False- -d, --destination
Determine the output path of the status file
3.3.7. watch#
Watch a aesp workflow
aesp watch [-h] [-s STEPID [STEPID ...]] config id
3.3.7.1. Positional Arguments#
- config
the config file in json format.
- id
the ID of the existing workflow.
3.3.7.2. Named Arguments#
- -s, --stepid
specify which Steps to watch.
3.3.8. terminate#
Terminate a aesp workflow.
aesp terminate [-h] config id
3.3.8.1. Positional Arguments#
- config
the config file in json format.
- id
the ID of the workflow.
3.3.9. stop#
Stop a aesp workflow.
aesp stop [-h] config id
3.3.9.1. Positional Arguments#
- config
the config file in json format.
- id
the ID of the workflow.
3.3.10. suspend#
Suspend a aesp workflow.
aesp suspend [-h] config id
3.3.10.1. Positional Arguments#
- config
the config file in json format.
- id
the ID of the workflow.
3.3.11. delete#
Delete a aesp workflow.
aesp delete [-h] config id
3.3.11.1. Positional Arguments#
- config
the config file in json format.
- id
the ID of the workflow.
3.3.12. retry#
Retry a aesp workflow.
aesp retry [-h] config id
3.3.12.1. Positional Arguments#
- config
the config file in json format.
- id
the ID of the workflow.
3.3.13. resume#
Resume a aesp workflow.
aesp resume [-h] config id
3.3.13.1. Positional Arguments#
- config
the config file in json format.
- id
the ID of the workflow.