import commit

mcsm_analysis/pyrazinamide/scripts/read_pdb.R

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+#########################
+#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
+