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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
  • text2doi: get DOI from references in text format (one per line)

Computational chemistry

  • crystal2cif: extract information from CRYSTAL17 output file into CIF format
  • findsym.py: find space group of crystal structures (front-end to ASE/spglib routines)

Misc tools

  • unicode: display the characters in a Unicode string