Description Usage Arguments Examples
This function allows you to load chemical shift data from file in the form of a matrix
1 2 3 4 | load_cs_matrix(csfile, skip = 1, cs_offset = NULL, residues = NULL,
names = c("resid", "resname", "C1'", "C2'", "C3'", "C4'", "C5'", "C2",
"C5", "C6", "C8", "H1'", "H2'", "H3'", "H4'", "H2", "H5", "H5'", "H5''",
"H6", "H8", "H1", "H3", "N1", "N3"))
|
csfile |
input file name |
cs_offset |
file containing offsets. Defaults to NULL |
residues |
vector of residues to retain data for. Defaults to NULL |
names |
vector of column names. Defaults to c("processor","model","resid","resname","nucleus","predCS","expCS","randCS","id") |
accuracyFile |
expected accuracy file. Defaults to NULL |
atomBasedWeights |
vector of specifying the residues for to data will be retained. Defaults to NULL |
1 | load_cs_matrix("data/predicted_shifts.txt")
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