LICENSE
MANIFEST.in
README.md
build.bat
build.sh
pyproject.toml
requirements.txt
setup.py
test/__init__.py
vorpy/__init__.py
vorpy/__main__.py
vorpy/cmd.py
vorpy3.egg-info/PKG-INFO
vorpy3.egg-info/SOURCES.txt
vorpy3.egg-info/dependency_links.txt
vorpy3.egg-info/entry_points.txt
vorpy3.egg-info/requires.txt
vorpy3.egg-info/top_level.txt
vorpy/api/__init__.py
vorpy/api/GUI/__init__.py
vorpy/api/calculations/__init__.py
vorpy/api/chemistry/__init__.py
vorpy/api/command/__init__.py
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vorpy/api/network/__init__.py
vorpy/api/objects/__init__.py
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vorpy/api/system/__init__.py
vorpy/api/visualize/__init__.py
vorpy/data/1BNA.pdb
vorpy/data/Cluster11.pdb
vorpy/data/Complex1_frame1.pdb
vorpy/data/DB1976.pdb
vorpy/data/EDTA_Mg.pdb
vorpy/data/HO_cube.pdb
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vorpy/data/Na5.gro
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vorpy/data/cambrin.pdb
vorpy/data/foam1.pdb
vorpy/data/hairpin.pdb
vorpy/data/protein_ligand_complex.pdb
vorpy/data/VerificationFoams/1.0_0.5_1000_0.05_0.0_gamma_True_False.pdb
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vorpy/src/__init__.py
vorpy/src/run.py
vorpy/src/version.py
vorpy/src/GUI/__init__.py
vorpy/src/GUI/progress_window.py
vorpy/src/GUI/vorpy_gui.py
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vorpy/src/GUI/Other/sphere_viewer.py
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vorpy/src/GUI/group/export/__init__.py
vorpy/src/GUI/group/export/custom_export_window.py
vorpy/src/GUI/group/export/export_frame.py
vorpy/src/GUI/group/selection/__init__.py
vorpy/src/GUI/group/selection/selection_frame.py
vorpy/src/GUI/help/__init__.py
vorpy/src/GUI/help/help_window.py
vorpy/src/GUI/system/__init__.py
vorpy/src/GUI/system/default_files.py
vorpy/src/GUI/system/system_exports.py
vorpy/src/GUI/system/system_frame.py
vorpy/src/GUI/system/radii_adjustments/element_classifications.py
vorpy/src/GUI/system/radii_adjustments/periodic_table_GUI.py
vorpy/src/analyze/__init__.py
vorpy/src/analyze/Part_III_ML_Processes/Surfaces_Training.py
vorpy/src/analyze/Part_II_Molecular_Analysis/F1_Models_Schemes_Curvature/B_Schemes.py
vorpy/src/analyze/Part_II_Molecular_Analysis/F1_Models_Schemes_Curvature/C_Curvature.py
vorpy/src/analyze/Part_II_Molecular_Analysis/Fig1/SortBalls.py
vorpy/src/analyze/Part_II_Molecular_Analysis/Fig1/proximity.py
vorpy/src/analyze/Part_II_Molecular_Analysis/III_CG_Models_Totals/color_residues.py
vorpy/src/analyze/Part_II_Molecular_Analysis/III_CG_Models_Totals/diff_by_res_vor_pow.py
vorpy/src/analyze/Part_II_Molecular_Analysis/III_CG_Models_Totals/totals_by_scheme.py
vorpy/src/analyze/Part_II_Molecular_Analysis/III_CG_Models_Totals/totals_by_scheme2.py
vorpy/src/analyze/Part_II_Molecular_Analysis/II_Curvature/Curvature_Shapes.py
vorpy/src/analyze/Part_II_Molecular_Analysis/II_Curvature/curvature_range_cartoons.py
vorpy/src/analyze/Part_II_Molecular_Analysis/II_Curvature/curvature_range_plot.py
vorpy/src/analyze/Part_II_Molecular_Analysis/IV_CG_Curvature/color_code_residues.py
vorpy/src/analyze/Part_II_Molecular_Analysis/IV_CG_Curvature/curvature_assignments.py
vorpy/src/analyze/Part_II_Molecular_Analysis/IV_CG_Curvature/curvature_by_radius.py
vorpy/src/analyze/Part_II_Molecular_Analysis/IV_CG_Curvature/curvature_distribution.py
vorpy/src/analyze/Part_II_Molecular_Analysis/IV_CG_Curvature/max_avg_curv.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VIII_Molceular_Assignments/AvgSurfDiff.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VIII_Molceular_Assignments/InsideOutside.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VIII_Molceular_Assignments/OtherSADiffs.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VIII_Molceular_Assignments/SolventAccessible.py
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vorpy/src/analyze/Part_II_Molecular_Analysis/VII_Molecular_Curvature/CurvatureByInterface.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VII_Molecular_Curvature/CurvatureDistributions.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VII_Molecular_Curvature/PDBColoring.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VII_Molecular_Curvature/curvature_assignments.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VII_Molecular_Curvature/curvature_name_bins.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VI_Atom_Vol_Assignments/AtomAssignmentClustering.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VI_Atom_Vol_Assignments/AtomAssignmentFileMaker.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VI_Atom_Vol_Assignments/AvgAtomDiff.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VI_Atom_Vol_Assignments/ElementBinningDiffs.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VI_Atom_Vol_Assignments/ElementBinningTots.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VI_Atom_Vol_Assignments/KMeansClustering.py
vorpy/src/analyze/Part_II_Molecular_Analysis/VI_Atom_Vol_Assignments/TrainAWVolModel.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/AllinaRow.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/AvgResDiffs.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/Distribution_Types.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/Distribution_of_element_radii.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/Plot_by_system.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/ResidueBinningDiffs.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/ResidueBinningTots.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/TotalDiffs.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/compare_frames.py
vorpy/src/analyze/Part_II_Molecular_Analysis/V_Molecular_Models_Totals/frame_analysis.py
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vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig1/proximity.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig1/AWVd_vs_Power/Surfaces.py
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vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig1/Building_Blocks/Edges/ellipse_edge.py
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vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig3/HistofRadiiRaw.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig3/NumOlaps_csv.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig3/NumOverlaps.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig3/OneOlapPlot.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig3/OneXYZPlot.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig3/histofradiiCompare.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig3/ranging_pdfs.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig4/NetNeighbors.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig4/RadiusVsPercentDifference.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig4/color_by_diff.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig4/overlaid_line_plots.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig4/plot_distributions_complete_cells.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig5/overlaid_line_plots_physical.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig5/physical_pdfs.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig5/plot_hist_of_real_dists.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig5/plot_physical_mpl.py
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vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/2_NeighborDistanceSphericity.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/3_Radius_UnsharedNeighbors.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/4_MissingNeighborDistance.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/5_pizza_pie.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/6_Overlap_Volume.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/7_RadialDistance_VolDiff.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/B_Radius_UnsharedNeighbors.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/C_MissingNeighborDistance.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/D_ExclusiveNeighbors_SphericityDifference.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/ExclusiveNeighbors_SphericityDifference.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/F_RadialDistance_VolDiff.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/G_pizza_pie.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/H_Overlap_Volume.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/Other/BallRadius_AbsoluteVolumeDifference.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/Other/LocalDensityPolydispersity.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/Other/NeighborDistanceSphericity.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/Other/NeighborsAverageRadii.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/Other/Radius_NeighborCount.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Fig7/Other/SphericityDifference_NerighborRadCVDiff.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Other/DensityVoxelization.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Other/Overlaid_Line_Plots_Density_Voxelization.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/Other/check_deviation.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/SupplementaryMaterial/MissingBallsHeatMap.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/SupplementaryMaterial/MonteCarloPlacement.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/SupplementaryMaterial/NeighborsMatrix.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/SupplementaryMaterial/OverlapsMatrix.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/SupplementaryMaterial/RadiusDistributionMatrix.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/SupplementaryMaterial/SurfaceOverlapsMatrix.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/SupplementaryMaterial/XYZMatrix.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/SupplementaryMaterial/XYZMatrixFake.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/VerifyVorPy/VerifyVerts.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/VerifyVorPy/VerifyVerts1.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/VerifyVorPy/VerifyVolumes.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/old/Check_Max_Vertex_Parameters.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/old/Open_density_factor.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/old/StandardDeviationFoamGens.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/old/check_num_foams.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/old/density_deviation.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/old/plot_physical_plotly.py
vorpy/src/analyze/Part_I_Statistical_Ensembles/old/plot_surf_graphy_plotly.py
vorpy/src/analyze/tools/__init__.py
vorpy/src/analyze/tools/calcs.py
vorpy/src/analyze/tools/CleanData/AdjustAfterRuns.py
vorpy/src/analyze/tools/CleanData/CheckFoamFolders.py
vorpy/src/analyze/tools/CleanData/CleanFoamData.py
vorpy/src/analyze/tools/CleanData/CombineLogs.py
vorpy/src/analyze/tools/CleanData/CreateFinalFoamData.py
vorpy/src/analyze/tools/CleanData/CreateVertsFromLogs.py
vorpy/src/analyze/tools/CleanData/FinalCleaning.py
vorpy/src/analyze/tools/CleanData/GetBasicFiles.py
vorpy/src/analyze/tools/CleanData/MakeFoamRuns.py
vorpy/src/analyze/tools/CleanData/RenameFiles.py
vorpy/src/analyze/tools/CleanData/RenameFolders.py
vorpy/src/analyze/tools/CleanData/VerifyFiles.py
vorpy/src/analyze/tools/CleanData/VerifyFoamData.py
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vorpy/src/analyze/tools/batch/InDepthLogAnalysis.py
vorpy/src/analyze/tools/batch/IsoMetricQuotient.py
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vorpy/src/analyze/tools/batch/compile_logs.py
vorpy/src/analyze/tools/batch/compile_new_logs.py
vorpy/src/analyze/tools/batch/generate_batch.py
vorpy/src/analyze/tools/batch/get_files.py
vorpy/src/analyze/tools/batch/make_foam_runs.py
vorpy/src/analyze/tools/batch/wipe_user_data.py
vorpy/src/analyze/tools/compare/__init__.py
vorpy/src/analyze/tools/compare/color_by_residue.py
vorpy/src/analyze/tools/compare/compare_files.py
vorpy/src/analyze/tools/compare/compare_verts.py
vorpy/src/analyze/tools/compare/get_res_data.py
vorpy/src/analyze/tools/compare/in_out.py
vorpy/src/analyze/tools/compare/pdb_names.py
vorpy/src/analyze/tools/compare/read_logs.py
vorpy/src/analyze/tools/compare/read_logs2.py
vorpy/src/analyze/tools/compare/sort_verts.py
vorpy/src/analyze/tools/plot_templates/__init__.py
vorpy/src/analyze/tools/plot_templates/bar.py
vorpy/src/analyze/tools/plot_templates/blank_axes.py
vorpy/src/analyze/tools/plot_templates/blank_legend.py
vorpy/src/analyze/tools/plot_templates/box_whisker.py
vorpy/src/analyze/tools/plot_templates/histogram.py
vorpy/src/analyze/tools/plot_templates/inline_plot.py
vorpy/src/analyze/tools/plot_templates/line.py
vorpy/src/analyze/tools/plot_templates/scatter.py
vorpy/src/analyze/tools/plot_templates/starting_point.py
vorpy/src/analyze/tools/plot_templates/table.py
vorpy/src/calculations/__init__.py
vorpy/src/calculations/calcs.py
vorpy/src/calculations/compare.py
vorpy/src/calculations/curvature.py
vorpy/src/calculations/edge.py
vorpy/src/calculations/sorting.py
vorpy/src/calculations/surf.py
vorpy/src/calculations/vert.py
vorpy/src/chemistry/Standard.py
vorpy/src/chemistry/Voronota.py
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vorpy/src/chemistry/chemistry_interpreter.py
vorpy/src/command/__init__.py
vorpy/src/command/argv.py
vorpy/src/command/build.py
vorpy/src/command/commands.py
vorpy/src/command/export.py
vorpy/src/command/group.py
vorpy/src/command/interpret.py
vorpy/src/command/load.py
vorpy/src/command/set.py
vorpy/src/command/set2.py
vorpy/src/command/vpy_cmnd.py
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vorpy/src/group/export.py
vorpy/src/group/group.py
vorpy/src/group/layers.py
vorpy/src/group/sort.py
vorpy/src/inputs/__init__.py
vorpy/src/inputs/balls.py
vorpy/src/inputs/cif.py
vorpy/src/inputs/fix_sol.py
vorpy/src/inputs/gro.py
vorpy/src/inputs/integrate_net.py
vorpy/src/inputs/logs.py
vorpy/src/inputs/mol.py
vorpy/src/inputs/ndx.py
vorpy/src/inputs/net.py
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vorpy/src/inputs/txt.py
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vorpy/src/interface/interface.py
vorpy/src/network/__init__.py
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vorpy/src/network/build_edge.py
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vorpy/src/network/build_surf.py
vorpy/src/network/build_surfs.py
vorpy/src/network/edge_project.py
vorpy/src/network/fast.py
vorpy/src/network/fill.py
vorpy/src/network/find_net_verts.py
vorpy/src/network/find_v0.py
vorpy/src/network/find_verts.py
vorpy/src/network/loop_edge.py
vorpy/src/network/mark_doublets.py
vorpy/src/network/network.py
vorpy/src/network/perimeter.py
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vorpy/src/network/split_net.py
vorpy/src/network/support_funcs.py
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vorpy/src/objects/atom.py
vorpy/src/objects/chain.py
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vorpy/src/output/colors.py
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vorpy/src/output/mol.py
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vorpy/src/output/set_pymol_atoms.py
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vorpy/src/output/sys.py
vorpy/src/output/system_info.py
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vorpy/src/system/system.py
vorpy/src/visualize/VorpyIcon.py
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vorpy/src/visualize/mpl_visualize.py