load_cs_matrix: Chemical Shift Matrix Loading Function

Description Usage Arguments Examples

Description

This function allows you to load chemical shift data from file in the form of a matrix

Usage

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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"))

Arguments

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

Examples

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load_cs_matrix("data/predicted_shifts.txt")

atfrank/nmR documentation built on May 10, 2019, 2:09 p.m.