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mmagnus / rna-tools

🔧rna-tools: a toolbox to analyze sequences, structures and simulations of RNA (and more) used by RNA CASP, RNA PUZZLES, and me ;-) docs @ http://rna-tools.rtfd.io web @ http://rna-tools.online
http://rna-tools.online
GNU General Public License v3.0
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rna_calc_rmsd.py: sort the csv file according to rmsd #101

Closed mmagnus closed 4 years ago

mmagnus commented 4 years ago 
rna_calc_rmsd.py -t 21_solution_2_rpr.pdb *.pdb
method: all-atom-built-in
# of models: 55
21_3dRNA_1_rpr.pdb 12.09 881
21_3dRNA_2_rpr.pdb 12.41 881

the simplest would be to add --sort and sort with Pandas the rmsd csv file.