Workflow: mutations.cwl

Fetched 2019-02-01 16:02:41 GMT
children parents
Workflow as SVG
  • Selected
  • Default Values
  • Nested Workflows
  • Tools
  • Inputs/Outputs

Inputs

ID Type Title Doc
scw_input_pdb_path File

Steps

ID Runs Label Doc
ions_preprocess
grompp.cwl (CommandLineTool)
mutate_structure
scwrl.cwl (CommandLineTool)
npt_dynamics_preprocess
grompp.cwl (CommandLineTool)
equilibration_preprocess
grompp.cwl (CommandLineTool)
minimization_preprocess
grompp.cwl (CommandLineTool)
gnuplot
gnuplot.cwl (CommandLineTool)
solvate
solvate.cwl (CommandLineTool)
nvt_dynamics_preprocess
grompp.cwl (CommandLineTool)
minimization
mdrun.cwl (CommandLineTool)
nvt_dynamics
mdrun.cwl (CommandLineTool)
npt_dynamics
mdrun.cwl (CommandLineTool)
add_ions
genion.cwl (CommandLineTool)
rmsd
rms.cwl (CommandLineTool)
create_topology
pdb2gmx.cwl (CommandLineTool)
equilibration
mdrun.cwl (CommandLineTool)
create_water_box
editconf.cwl (CommandLineTool)

Outputs

ID Type Label Doc
gnuplot_output_png_file File
md_output_trr_file File
rms_output_xvg_file File
md_output_gro_file File
Permalink: https://w3id.org/cwl/view/git/e973958e012e38f99b0c8ed2b798c5e5a7f72b22/cwl/mutations.cwl