read_raw_file: Extracts data from a protein NMR experimental peak list....

In BaMORC: Bayesian Model Optimized Reference Correction Method for Assigned and Unassigned Protein NMR Spectra

Description

Extracts data from a protein NMR experimental peak list. read_raw_file() function reads in a user provided protein NMR experimental peak list. It currently supports file format in csv, txt with deliminator of comma, whitespace or semicolon. Note: please don't leave space between sequence and chemical shifts data, otherwise it will report error.

Usage

read_raw_file(file_path, delim = "comma", assigned = FALSE)

Arguments

file_path	File path where input chemical shifts file is located
delim	Delimiter for parsing file
assigned	Flag tell whether the input chemical shifts file is already assigned or not

Value

A list contains protein sequence and chemical shift table.

Examples

input_type = "ws" 
sample_file_path = system.file("extdata", "sample_input_ws.txt", package = "BaMORC")
head(read_raw_file(file_path=sample_file_path, delim="ws"))

input_type = "csv"
sample_file_path = system.file("extdata", "sample_input.csv", package = "BaMORC")
head(read_raw_file(file_path=sample_file_path, delim="comma"))
unlink("sample_input.csv")

input_type = "sc"
sample_file_path = system.file("extdata", "sample_input_sc.txt", package = "BaMORC")
head(read_raw_file(file_path=sample_file_path, delim="semicolon"))
unlink("sample_input_sc.txt")

BaMORC documentation built on May 1, 2019, 6:35 p.m.