bhattacharyya.RdCalculate the Bhattacharyya Coefficient as a similarity between two modes objects.
bhattacharyya(...) # S3 method for enma bhattacharyya(enma, covs=NULL, ncore=NULL, ...) # S3 method for array bhattacharyya(covs, ncore=NULL, ...) # S3 method for matrix bhattacharyya(a, b, q=90, n=NULL, ...) # S3 method for nma bhattacharyya(...) # S3 method for pca bhattacharyya(...)
| enma | an object of class |
|---|---|
| covs | an array of covariance matrices of equal dimensions. |
| ncore | number of CPU cores used to do the calculation.
|
| a | covariance matrix to be compared with |
| b | covariance matrix to be compared with |
| q | a numeric value (in percent) determining the number of modes to be compared. |
| n | the number of modes to be compared. |
| ... | arguments passed to associated functions. |
Bhattacharyya coefficient provides a means to compare two covariance matrices derived from NMA or an ensemble of conformers (e.g. simulation or X-ray conformers).
Returns the similarity coefficient(s).
Skjaerven, L. et al. (2014) BMC Bioinformatics 15, 399. Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696. Fuglebakk, E. et al. (2013) JCTC 9, 5618--5628.
Lars Skjaerven
Other similarity measures:
sip, covsoverlap, rmsip.