Analyse & export · module 25
Project & methods
Every structure in the project folder with its key results, and a methods paragraph with BibTeX drafted from the provenance of each step: every builder, force field and protocol, with its citation.
Open it File›Project home…
- You start with
- A project folder of structures CAPS made (each carries a provenance file).
- You get
- A results table, a methods section and BibTeX for your paper.
Step by step
Open the project home
File › Project home…, or Project home… in the Inspector. Other folder… switches project.
Read the results table
Structure, atoms, density, Tg, C∞, the last step and the status. Export table writes it out.
Copy the methods
Methods section · generated from provenance updates whenever provenance changes. Copy the text and BibTeX the references.
Share it
Share project packages the project for a colleague or a reviewer.
The same without the Studio
Every Studio page calls the same core as the caps command and the caps Python package, so a step you clicked can be repeated in a script.
caps provenance cell.data --methods
caps provenance cell.data --bibtex > refs.bib
caps bundle traj.lammpstrj --topology cell.data --steps pipeline.json -o figure.caps-bundle.zip
caps reproduce figure.caps-bundle.zipimport caps
m = caps.provenance_file("cell.data.provenance.json")
print(caps.methods(m)["text"])
print(caps.bibtex(m))