run dPCA+

Runs a dPCA+ analysis for the given project. If dihedrals have not been generated yet, they will be automatically using the default settings (remove first and last C\(\alpha\) to get rid of the end-caps).

run.dPCAplus(dihedrals = NULL, corr = FALSE, ignoreCache = FALSE)

Arguments

dihedrals

Filename of dihedrals. If NULL (default), try to infer from project management.

corr

Use correlation instead of covariance. Effectively whitens the data before doing analysis.

ignoreCache

Ignore cached files and recalculate in any case.