BaMORC (1.0.1)

Bayesian Model Optimized Reference Correction Method for Assigned and Unassigned Protein NMR Spectra.

Provides reference correction for protein NMR spectra. Bayesian Model Optimized Reference Correction (BaMORC) is utilizing Bayesian probabilistic framework to perform protein NMR referencing correction, currently for alpha and beta carbon-13 chemical shifts, without any resonance assignment and/or three-dimensional protein structure. For more detailed explanation, please refer to the paper "Automatic 13C Chemical Shift Reference Correction for Unassigned Protein NMR Spectra" (Journal of Biomolecular NMR, Aug 2018)" .

Maintainer: Xi Chen
Author(s): Xi Chen [aut, cre] (<>), Andrey Smelter [aut] (<>), Hunter Moseley [aut] (<>)

License: BSD_3_clause + file LICENSE

Uses: BMRBr, data.table, DEoptim, devtools, docopt, httr, jsonlite, RBMRB, readr, stringr, tidyr, formatR, knitr, rmarkdown

Released 6 months ago.