parseTraj {deltaGseg} | R Documentation |
Reads in files with 2-column, space-separated numerical values containing 1:time points, 2:trajectory(free binding energies).
parseTraj(path = getwd(), files = NULL,fromfile=TRUE)
path |
Directory containing trajectory files. |
files |
Character vector of filenames to read. If not provided, will read all files in given directory and treat them as a set. Can also be used to read in variables if given as list. |
fromfile |
Logical. If set to FALSE, the files parameter will be used to read in variables. |
This is an initialization function for the deltaGseg package. It reads the trajectory files (input) and reports the a short description of the file, the Augmented Dickey-Fuller test p-values for each trajectory in the set and the data plot. The input files should be in tab delimited form with 2 columns: the first column contains the time points 1, 2, ..., T and the second the free binding energies at each time point.
A 'Trajectories' object.
Diana H.P. Low, Efthimios Motakis
None.
traj1<-parseTraj(path=system.file("extdata",package="deltaGseg"),files=c("D_GBTOT1","D_GBTOT2","D_GBTOT3")) traj1 #prints summary of traj1 object # using parseTraj for existing variables ## subtraj<-getTraj(traj1)[[1]] #extracts first trajectory in the above series traj2<-parseTraj(files=list(subtraj),fromfile=FALSE) traj2