Workflow: mutations.cwl
Fetched 2024-04-25 21:30:17 GMT
Verified with cwltool version 3.1.20221201130942
- Selected
- |
- Default Values
- Nested Workflows
- Tools
- Inputs/Outputs
This workflow is Open Source and may be reused according to the terms of:
Apache License 2.0
Note that the tools invoked by the workflow may have separate licenses.
Inputs
| ID | Type | Title | Doc |
|---|---|---|---|
| step1_mmbpdb_config | String | ||
| step3_mutate_config | String | ||
| step8_genion_config | String | ||
| step15_grompp_md_config | String | ||
| step9_grompp_min_config | String | ||
| step11_grompp_nvt_config | String | ||
| step13_grompp_npt_config | String | ||
| step7_grompp_genion_config | String |
Steps
| ID | Runs | Label | Doc |
|---|---|---|---|
| step1_mmbpdb |
biobb_io/mmb_api/pdb.cwl
(CommandLineTool)
|
||
| step3_mutate |
biobb_model/model/mutate.cwl
(CommandLineTool)
|
||
| step8_genion |
biobb_md/gromacs/genion.cwl
(CommandLineTool)
|
||
| step4_pdb2gmx |
biobb_md/gromacs/pdb2gmx.cwl
(CommandLineTool)
|
||
| step6_solvate |
biobb_md/gromacs/solvate.cwl
(CommandLineTool)
|
||
| step5_editconf |
biobb_md/gromacs/editconf.cwl
(CommandLineTool)
|
||
| step16_mdrun_md |
biobb_md/gromacs/mdrun.cwl
(CommandLineTool)
|
||
| step10_mdrun_min |
biobb_md/gromacs/mdrun.cwl
(CommandLineTool)
|
||
| step12_mdrun_nvt |
biobb_md/gromacs/mdrun.cwl
(CommandLineTool)
|
||
| step14_mdrun_npt |
biobb_md/gromacs/mdrun.cwl
(CommandLineTool)
|
||
| step15_grompp_md |
biobb_md/gromacs/grompp.cwl
(CommandLineTool)
|
||
| step9_grompp_min |
biobb_md/gromacs/grompp.cwl
(CommandLineTool)
|
||
| step11_grompp_nvt |
biobb_md/gromacs/grompp.cwl
(CommandLineTool)
|
||
| step13_grompp_npt |
biobb_md/gromacs/grompp.cwl
(CommandLineTool)
|
||
| step2_fixsidechain |
biobb_model/model/fix_side_chain.cwl
(CommandLineTool)
|
||
| step7_grompp_genion |
biobb_md/gromacs/grompp.cwl
(CommandLineTool)
|
Outputs
| ID | Type | Label | Doc |
|---|---|---|---|
| cpt | File | ||
| edr | File | ||
| gro | File | ||
| log | File | ||
| trr | File |
Permalink:
https://w3id.org/cwl/view/git/defb108cdb9f628ef07b07263d0a28805e4537d2/biobb_wf_mutations/cwl/mutations.cwl
