This repo is primarily to store handy quick R scripts for post-processing and such.
Processing SEED output prior to feeding into R scripts RDataImport.R and RDataImportDSX.R.
Takes in list of poses and scores (usually 000's) from SEED output, applies data transform (^2) to make data normally distributed, retains poses scoring two-sigma away from the mean, outputs list of these poses.
Takes poses after rescoring by DSX (http://pc1664.pharmazie.uni-marburg.de/drugscore/), retains poses scoring two-sigma from mean from docking AND DSX rescoring.