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1. xyz2tab xyz2tab Public

   Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables

   Python 33 5

2. cal-mb cal-mb Public

   Easily calibrate Mößbauer (MB) spectra

   Python

3. fit-mb fit-mb Public

   Python 3 script for (hassle-free) fitting of Mößbauer (MB) spectra

   Python

4. orca_uv orca_uv Public

   Plots absorption spectra from from ORCA output files

   Python 17 5

5. raman_tl raman_tl Public

   Baseline correction, smoothing, processing and plotting of Raman spectra

   Python 20 5

6. orca_ir orca_ir Public

   Plots IR spectra from from ORCA output files

   Python 14 2