Fiscore (version 0.1.3)

PDB_prepare: PDB_prepare

Description

Function to prepare a PDB file after it was pre-processed to generate Fi-score and normalised B factor values as well as secondary structure designations

Usage

PDB_prepare(file_name)

Arguments

file_name

PDB file name to load that was split into chains, e.g. '6KZ5_A.pdb'

Value

returns a processed data frame with Fi-score 'Fi_score', normalised B factor values 'B_normalised' and secondary structure designations

Examples

# NOT RUN {
path_to_processed_PDB<- system.file("extdata", "3nf5_A.pdb", package="Fiscore")
# you can call PDB_prepare with the set path
head(PDB_prepare(path_to_processed_PDB))
# }