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FX's scripts for science and chemistry

This rep contains scripts that I use regularly, in the hope that others might find them useful. Below is a description of each, roughly classified by "category".

Bibliography

  • doi2bib: give it a DOI, it gives you a full bib entry
  • extractdoi: gets DOI from PDF (when possible)
  • texsize: list size of all figures included in TeX document

Computational chemistry

  • findsym.py: find space group of crystal structures (front-end to ASE/spglib routines)

Grace (xmgrace) scripts

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Tools and scripts I wrote and regularly use

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  • Python 83.7%
  • Shell 16.3%