Move aromatic sampling from sidechain to angle

ExcitedStates / qfit-3.0

qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.

MIT License

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Closed jessicaflowers closed 5 months ago

jessicaflowers commented 6 months ago

Both sidechain and angle sample aromatic residues, this contributes to the oversampling we are seeing. Move all aromatic residue sampling into angle

stephaniewankowicz commented 5 months ago

We decided to split QP instead