Mercurial > repos > bitlab > plidflow
view PLIDflow/scripts/glgfilemaker.R @ 4:b9e7ec4e3cde draft
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author | bitlab |
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date | Mon, 27 Jan 2020 07:12:19 -0500 |
parents | 6fcfa4756040 |
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#glgfilemarker.R makes GLG file and map files #!/usr/bin/env Rscript args = commandArgs(trailingOnly=TRUE) if(length(args) < 1){ stop("USE: Rscript glgfilemaker.R <receptor_name> <session_dir>") } #Arguments definition receptor_name <- args[1] session_dir <- args[2] #Running AutiGrid4 ##autogrid4 -p <file>.gpf -l <file>.glg & recopy <- paste( basename(args[1]),".pdbqt" ,sep="") command <- paste("cp ", args[1], " ", recopy, sep="") #print(paste("ESTOY IMPRIMIENDO ", command)) system(command) #print(recopy) receptor_name_gpf <- paste( basename(args[1]), ".gpf", sep="") receptor_name_glg <- paste( basename(args[1]), ".glg", sep="") #print(receptor_name_gpf) elemento_concetenar <- paste( "autogrid4 -p", sep = " ") elemento_concetenar <- paste(elemento_concetenar, receptor_name_gpf, sep = " ") elemento_concetenar <- paste(elemento_concetenar, "-l ", receptor_name_glg, sep = " ") #print(elemento_concetenar) system(elemento_concetenar)