BICePs - Bayesian Inference of Conformational Populations
The BICePs algorithm (Bayesian Inference of Conformational Populations) is a statistically rigorous Bayesian inference method to reconcile theoretical predictions of conformational state populations with sparse and/or noisy experimental measurements and objectively compare different models. Supported experimental observables include:
NMR chemical shifts (
J couplings (both small molecules and amino acids)
Check our BICePs website for more details!
Please check out the theory of BICePs to learn more.
Installation (in progress)
BICePs supports Python 2.7 or Python 3.4+ (coming soon) on Mac, Linux, and Windows.
Dependencies of BICePs
- Pymbar --> 3.0 or later
- MDTraj --> 1.9 or later
- Matplotlib --> 1.5.1 or later
- Numpy --> 1.14.0 or later
View the workflow of BICePs.
BICePs is research software. If you make use of BICePs in scientific publications, please cite it.
To get started, see BICePs_2.0 for the latest version of BICePs.
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