27 lines
713 B
R
27 lines
713 B
R
#########################
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#3: Read complex pdb file
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##########################
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source("Header_TT.R")
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# This script only reads the pdb file of your complex
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# read in pdb file complex1
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inDir = "~/git/Data/pyrazinamide/input/structure/"
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inFile = paste0(inDir, "complex1_no_water.pdb")
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complex1 = inFile
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#inFile2 = paste0(inDir, "complex2_no_water.pdb")
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#complex2 = inFile2
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# list of 8
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my_pdb = read.pdb(complex1
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, maxlines = -1
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, multi = FALSE
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, rm.insert = FALSE
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, rm.alt = TRUE
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, ATOM.only = FALSE
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, hex = FALSE
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, verbose = TRUE)
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rm(inDir, inFile, complex1)
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#====== end of script
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