Deal ALL,
What’s the difference between between score and bk_tot? The website says that “
score: the total score using the all-atom (high-resolution) energy function (lower is better)
bk_tot: total score used in the side-chain packing algorithm”.
But I still confused. Which one the real energy of the protein structure? Is that lower bk_tot always has lower “score”? Thank you!
bk_tot is the packer energy, which doesn’t include some fixed-backbone terms (rama, omega(?)), but others are differently weighted (p_aa_pp, helical hydrogen bonds). Use the total score instead.
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