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salilab / pmi

Python Modeling Interface
https://integrativemodeling.org/nightly/doc/ref/namespaceIMP_1_1pmi.html
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Gaussians instead of beads? #40

Closed Pellarin closed 2 years ago

cgreenberg commented 10 years ago

Could be better than simplifying along backbone. Also we can use a gaussian excluded volume restraint.

Pellarin commented 9 years ago

Mmmmh the idea was interesting, did we try?

cgreenberg commented 9 years ago

Gaussians would be a probabilistic representation of residue positions. Could be interesting - kind of a generalization of using the "sigma" term in the crosslink restraint. Unclear how to make this work for general restraints.