#########################
#3: Read complex pdb file
##########################
source("Header_TT.R")
# This script only reads the pdb file of your complex

# read in pdb file complex1 
inDir = "~/git/Data/pyrazinamide/input/structure/"
inFile = paste0(inDir, "complex1_no_water.pdb")
complex1 = inFile

#inFile2 = paste0(inDir, "complex2_no_water.pdb")
#complex2 = inFile2

# list of 8
my_pdb = read.pdb(complex1
                  , maxlines = -1
                  , multi = FALSE 
                  , rm.insert = FALSE
                  , rm.alt = TRUE
                  , ATOM.only = FALSE 
                  , hex = FALSE
                  , verbose = TRUE)

rm(inDir, inFile, complex1)
#====== end of script