ExcitedStates / qfit-3.0

qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.
MIT License
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Improve bulk solvent level #447

Open stephaniewankowicz opened 2 weeks ago

stephaniewankowicz commented 2 weeks ago

Rather than having a hard-coded bulk solvent level of 0.3, we should be determining what the relative bulk solvent level is in the structure. -- look at areas of the map > 3 Angstroms away from any modeled atom to get an estimate.