[stability-pipeline] MP pdb description as prism file
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j0kaso commented
generate a prism file including pdb descriptions such as Ss, ASA, LAS, ...
functions can be found at https://github.com/j0kaso/MPRISM/blob/master/notebooks/Lab-diary_2020_45.ipynb and in the GlpG benchmark
j0kaso commented
done with 183eb98 - checkout https://github.com/KULL-Centre/PRISM/blob/dev_v0.1/software/scripts/pdb_to_prism.py -h