Files in vanddraabe

Identification and Statistical Analysis of Conserved Waters Near Proteins

NEWS.md README.md inst/doc/vanddraabe_vignettes.Rmd vignettes/vanddraabe_vignettes.Rmd R/Constants.R R/AlignOverlap.R R/Dataset_documentation.R R/ConservedWaters.R R/plots.R R/ClusterWaters.R R/utilities.R R/getRCSBdata.R R/HydrophilicityTable_documentation.R R/CleanProteinStructures.R R/FreeSASA.R R/BoundWaterEnvironments.R R/ChainsOfInterest.R R/CreatePyMOLscript.R R/vanddraabe.R R/openxlsxCommands.R R/HydrophilicityEvaluation.R man/RetainWatersWithinX.Rd man/BoundWaterEnvironment.interact.Rd man/check.cluster.method.Rd man/names.res.AtomTypes.Rd man/RemoveHydrogenAtoms.Rd man/oxAlignOverlapSheet.Rd man/StandardizeHistidineNames.Rd man/oxWaterOccurrenceSheet.Rd man/ConservedWaters.MDS.Rd man/getRCSBdata.Rd man/StandardizeAsparticAcidNames.Rd man/HydrophilicityEvaluation.Rd man/vanddraabe.Rd man/resAtomType2AtomClass.Rd man/ClusterWaters.MDS.Rd man/CalcAlignOverlap.Rd man/names.resATs.nitro.pos.Rd man/oxRCSBinfoSheet.Rd man/PDB.5rxn.Rd man/calcNumHydrogenBonds.Rd man/ClusterSummaryPlots.Rd man/BvalueBarplot.Rd man/HasXWaters.Rd man/names.waters.Rd man/BvalueBarplot.summ.Rd man/DetermineChainsOfInterest.Rd man/BoundWaterEnvironment.Rd man/names.sidechain.atoms.Rd man/OccupancyBarplot.Rd man/RescaleValues.Rd man/Mobility.Rd man/ExtractPDBids.Rd man/BoundWaterEnvPlots.Rd man/oxPDBcleanedSummarySheet.Rd man/RetainChainsOfInterest.Rd man/thrombin10.PDBs.align.Rd man/aaStandardizeNames.Rd man/BoundWaterEnvSummaryPlot.Rd man/RemoveOoR.b.Rd man/HydrophilicityTable.Rd man/colorPalettes.Rd man/getAtomTypeCounts.Rd man/res2xyz.Rd man/NormalizedBvalue.Rd man/MobNormBvalEvalPlots.Rd man/oxPlainDataSheet.Rd man/ExtractFileTimeStamp.Rd man/calcBvalue.Rd man/BoundWaterEnvironment.quality.Rd man/ConservedWaters.Rd man/normBvalueBarplot.summ.Rd man/Nearby.Rd man/thrombin.1hai.Rd man/names.resATs.carb.sulf.Rd man/calcAtomHydrationEstimate.Rd man/PDB.1ecd.Rd man/ConservedWaterStats.Rd man/names.resATs.nitro.neut.Rd man/write.basic.pdb.Rd man/getResTypeCounts.Rd man/names.resATs.oxy.neut.Rd man/names.backbone.atoms.Rd man/names.resATs.oxy.neg.Rd man/AlignOverlap.Rd man/MobilityBarplot.Rd man/ConservationPlot.Rd man/ProtHetWatIndices.Rd man/FreeSASAcheck.Rd man/calcAtomClassHydrophilicity.Rd man/calcNearbyHydrationFraction.Rd man/OccupancyBarplot.summ.Rd man/StandardizeCysteineNames.Rd man/CreatePyMOLscript.Rd man/FileTimeStamp.Rd man/ReturnPDBfullPath.Rd man/oxClusterStatsSheet.Rd man/FreeSASA.diff.Rd man/names.residues.Rd man/CleanProteinStructures.Rd man/oxInitWaterDataSheet.Rd man/StandardizeLysineNames.Rd man/TimeSpan.Rd man/StandardizeGlutamicAcidNames.Rd man/getProtAtomsNearWater.Rd man/oxClusterSummarySheet.Rd man/getResidueData.Rd man/write.conservedWaters.pdb.Rd man/ConservationSet.Rd man/UniqueAtomHashes.Rd man/ClusterWaters.Rd man/RemoveModeledAtoms.Rd man/names.polar.atoms.Rd man/MobilityBarplot.summ.Rd man/RemoveOoR.o.Rd man/openxlsxCellStyles.Rd man/nBvalueBarplot.Rd tests/testthat.R tests/testthat/test-utilities.R tests/testthat/test-ClusterWaters.R tests/testthat/test-ChainsOfInterest.R tests/testthat/test-HydrophilicityEvaluation.R tests/testthat/test-CleanProteinStructure.R tests/testthat/test-AlignOverlap.R tests/testthat/test-BoundWaterEnvironments.R