Files in vanddraabe
Identification and Statistical Analysis of Conserved Waters Near Proteins
MD5
NEWS.md
LICENSE
DESCRIPTION
README.md
NAMESPACE
inst/doc/vanddraabe_vignettes.Rmd
inst/doc/vanddraabe_vignettes.html
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/sysdata.rda
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
build/vignette.rds
tests/testthat.R
tests/testthat/getProtAtomsNearWater_1hai.rds
tests/testthat/getResidueData_1hai.rds
tests/testthat/CalcAlignOverlap_1hai_vs_1hah.rds
tests/testthat/Thrombin10_data.rda
tests/testthat/vanddraabe_DataForTesting.rda
tests/testthat/test-utilities.R
tests/testthat/RetainChainsOfInterest_4dfr_Achain.rds
tests/testthat/test-ClusterWaters.R
tests/testthat/test-ChainsOfInterest.R
tests/testthat/calcAtomClassHydrophilicity.rds
tests/testthat/test-HydrophilicityEvaluation.R
tests/testthat/test-CleanProteinStructure.R
tests/testthat/RetainChainsOfInterest_4dfr_Bchain.rds
tests/testthat/test-AlignOverlap.R
tests/testthat/PDB_1ecd_noModeledAtoms.rds
tests/testthat/test-BoundWaterEnvironments.R
tests/testthat/PDB_4dfr_OoR_occupancy.rds
tests/testthat/RetainChainsOfInterest_1hai_LHchains.rds
tests/testthat/PDB_5rxn_noHydrogenAtoms.rds
tests/testthat/PDB_4ape_OoR_Bvalue.rds
data/thrombin10.PDBs.align.rda
data/PDB.1ecd.rda
data/PDB.5rxn.rda
data/thrombin.1hai.rda
