Skip to content

Instantly share code, notes, and snippets.

@mr-c
Last active July 2, 2026 16:00
Show Gist options
  • Select an option

  • Save mr-c/1f965e5ba993762710107ebc8b5b212d to your computer and use it in GitHub Desktop.

Select an option

Save mr-c/1f965e5ba993762710107ebc8b5b212d to your computer and use it in GitHub Desktop.
cwlVersion: v1.2
class: CommandLineTool
inputs:
structures:
type: File
streamable: true
debug_mode:
type: boolean?
default: false
inputBinding:
prefix: --debug
stdin: $(inputs.structures.path)
# echo C=C1C=CC=C1 | chemonomatopist
baseCommand: chemonomatopist
hints:
DockerRequirement:
dockerFile: |
FROM debian:testing-slim
RUN apt-get update && apt-get install -y chemonomatopist
stdout: resulting_IUPACs.txt
outputs:
IUPACs:
type: File
format: iana:text/tab-separated-values
outputBinding:
glob: '*.txt'
#loadContents: true
#outputEval: $(self[0].contents)
$namespaces:
iana: https://www.iana.org/assignments/media-types/
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment