load_cs_data: Chemical Shift Data Loading Function

Description Usage Arguments Examples

Description

This function allows you to load chemical shift data from file

Usage

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load_cs_data(csfile, remove_assigned = FALSE, accuracyFile = NULL,
  cs_offset = NULL, residues = NULL, atomBasedWeights = FALSE,
  names = c("processor", "model", "resid", "resname", "nucleus",
  "predCS", "expCS", "randCS", "id"))

Arguments

csfile

input file name

remove_assigned

remove data with zero values? Defaults to FALSE

accuracyFile

expected accuracy file. Defaults to NULL

cs_offset

file containing offsets. Defaults to NULL

residues

vector of residues to retain data for. Defaults to NULL

atomBasedWeights

vector of specifying the residues for to data will be retained. Defaults to NULL

names

vector of column names. Defaults to c("processor","model","resid","resname","nucleus","predCS","expCS","randCS","id")

Examples

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load_cs_data("data/predicted_shifts.txt")

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