MANIFEST.in
README
contributors.txt
setup.cfg
setup.py
bin/giant.datasets.cluster
bin/giant.datasets.summary
bin/giant.make_restraints
bin/giant.merge_conformations
bin/giant.quick_refine
bin/giant.score_model
bin/giant.score_model_multiple
bin/giant.score_model_set
bin/giant.split_conformations
bin/pandda.analyse
bin/pandda.clean
bin/pandda.export
bin/pandda.inspect
bin/pandda.migrate
bin/pandda.progress
bin/pandda.show_summary
lib-python/bamboo/__init__.py
lib-python/bamboo/ccp4_utils.py
lib-python/bamboo/constants.py
lib-python/bamboo/rcsb_utils.py
lib-python/bamboo/common/__init__.py
lib-python/bamboo/common/colours.py
lib-python/bamboo/common/command.py
lib-python/bamboo/common/errors.py
lib-python/bamboo/common/file.py
lib-python/bamboo/common/holders.py
lib-python/bamboo/common/logs.py
lib-python/bamboo/common/masks.py
lib-python/bamboo/common/online.py
lib-python/bamboo/common/parser.py
lib-python/bamboo/common/path.py
lib-python/bamboo/common/status.py
lib-python/bamboo/coot_utils/__init__.py
lib-python/bamboo/coot_utils/scripts.py
lib-python/bamboo/coot_utils/utils.py
lib-python/bamboo/html/__init__.py
lib-python/bamboo/html/builder.py
lib-python/bamboo/html/div.py
lib-python/bamboo/html/section.py
lib-python/bamboo/maths/__init__.py
lib-python/bamboo/maths/angles.py
lib-python/bamboo/plot/__init__.py
lib-python/bamboo/plot/bar.py
lib-python/bamboo/plot/radar.py
lib-python/bamboo/plot/simple.py
lib-python/bamboo/plot/tree.py
lib-python/bamboo/pymol_utils/__init__.py
lib-python/bamboo/pymol_utils/shapes.py
lib-python/bamboo/rdkit_utils/__init__.py
lib-python/bamboo/rdkit_utils/mol.py
lib-python/bamboo/rdkit_utils/smile.py
lib-python/bamboo/rdkit_utils/bonds/__init__.py
lib-python/bamboo/rdkit_utils/bonds/dihedral.py
lib-python/bamboo/rdkit_utils/bonds/fragment.py
lib-python/bamboo/rdkit_utils/bonds/rotate.py
lib-python/bamboo/rdkit_utils/contacts/__init__.py
lib-python/bamboo/rdkit_utils/contacts/utils.py
lib-python/bamboo/rdkit_utils/coords/__init__.py
lib-python/bamboo/rdkit_utils/coords/coords.py
lib-python/bamboo/rdkit_utils/coords/fragment.py
lib-python/bamboo/rdkit_utils/coords/utils.py
lib-python/bamboo/regression/__init__.py
lib-python/bamboo/regression/resources/__init__.py
lib-python/bamboo/regression/resources/FRAGMENTTESTFILES/fragment_ligand_fragged.pdb
lib-python/bamboo/regression/resources/FRAGMENTTESTFILES/fragment_ligand_fragged_ref.pdb
lib-python/bamboo/regression/resources/FRAGMENTTESTFILES/fragment_ligand_whole.pdb
lib-python/bamboo/regression/resources/RMSDTESTFILES/lig-conf-1.pdb
lib-python/bamboo/regression/resources/RMSDTESTFILES/lig-conf-2.pdb
lib-python/bamboo/regression/resources/RMSDTESTFILES/lig-orig.pdb
lib-python/bamboo/regression/resources/RMSDTESTFILES/lig-shift-1.pdb
lib-python/bamboo/regression/resources/STRUCTURETESTFILES/varied_occupancy_ligand_test.pdb
lib-python/bamboo/resources/__init__.py
lib-python/bamboo/resources/mlfsom.tar.gz
lib-python/bamboo/resources/summary_page.html
lib-python/bamboo/stats/__init__.py
lib-python/bamboo/stats/cluster.py
lib-python/bamboo/stats/networks.py
lib-python/bamboo/stats/ospina.py
lib-python/bamboo/stats/statistical_tests.py
lib-python/bamboo/stats/utils.py
lib-python/bamboo/wrappers/__init__.py
lib-python/bamboo/wrappers/mlfsom.py
lib-python/bamboo/wrappers/ligand_builders/__init__.py
lib-python/bamboo/wrappers/ligand_builders/elbow.py
lib-python/bamboo/wrappers/ligand_builders/grade.py
lib-python/bamboo/wrappers/ligand_builders/prodrg.py
lib-python/bamboo/wrappers/ligand_builders/writedict.py
lib-python/bamboo/wrappers/ligand_fitters/__init__.py
lib-python/bamboo/wrappers/ligand_fitters/arpwarp.py
lib-python/bamboo/wrappers/ligand_fitters/flynn.py
lib-python/bamboo/wrappers/ligand_fitters/ligandfit.py
lib-python/bamboo/wrappers/ligand_fitters/rhofit.py
lib-python/bamboo/wrappers/refiners/__init__.py
lib-python/bamboo/wrappers/refiners/refmac.py
lib-python/giant/__init__.py
lib-python/giant/dataset.py
lib-python/giant/html.py
lib-python/giant/manager.py
lib-python/giant/phil.py
lib-python/giant/graphics/__init__.py
lib-python/giant/graphics/image_blobs.py
lib-python/giant/grid/__init__.py
lib-python/giant/grid/masks.py
lib-python/giant/grid/utils.py
lib-python/giant/grid/voronoi.py
lib-python/giant/io/__init__.py
lib-python/giant/io/arrays.py
lib-python/giant/io/pdb.py
lib-python/giant/jiffies/__init__.py
lib-python/giant/jiffies/datasets_cluster.py
lib-python/giant/jiffies/datasets_summary.py
lib-python/giant/jiffies/make_restraints.py
lib-python/giant/jiffies/merge_conformations.py
lib-python/giant/jiffies/multi_table_ones.py
lib-python/giant/jiffies/quick_insert_f000.py
lib-python/giant/jiffies/quick_mtz_merge.py
lib-python/giant/jiffies/quick_mtz_phase_difference.py
lib-python/giant/jiffies/quick_refine.py
lib-python/giant/jiffies/quick_refmac.py
lib-python/giant/jiffies/sanitise_model.py
lib-python/giant/jiffies/score_model.py
lib-python/giant/jiffies/score_model_multiple.py
lib-python/giant/jiffies/score_model_set.py
lib-python/giant/jiffies/split_conformations.py
lib-python/giant/jiffies/tbd/event_map.py
lib-python/giant/jiffies/tbd/reduce_ensemble.py
lib-python/giant/jiffies/tbd/set_occupancies.py
lib-python/giant/jiffies/tbd/transform.py
lib-python/giant/ligands/__init__.py
lib-python/giant/maths/__init__.py
lib-python/giant/maths/geometry.py
lib-python/giant/misc/__init__.py
lib-python/giant/misc/perturb.py
lib-python/giant/regression/__init__.py
lib-python/giant/regression/tst_grid.py
lib-python/giant/regression/tst_scale_data.py
lib-python/giant/regression/tst_sequence.py
lib-python/giant/stats/__init__.py
lib-python/giant/stats/optimisation.py
lib-python/giant/structure/__init__.py
lib-python/giant/structure/align.py
lib-python/giant/structure/altlocs.py
lib-python/giant/structure/b_factors.py
lib-python/giant/structure/common.py
lib-python/giant/structure/dihedrals.py
lib-python/giant/structure/ensembles.py
lib-python/giant/structure/formatting.py
lib-python/giant/structure/html.py
lib-python/giant/structure/iterators.py
lib-python/giant/structure/occupancy.py
lib-python/giant/structure/select.py
lib-python/giant/structure/sequence.py
lib-python/giant/structure/summary.py
lib-python/giant/structure/tls.py
lib-python/giant/structure/utils.py
lib-python/giant/structure/motion/__init__.py
lib-python/giant/structure/motion/tls.py
lib-python/giant/structure/restraints/__init__.py
lib-python/giant/structure/restraints/conformers.py
lib-python/giant/structure/restraints/external.py
lib-python/giant/structure/restraints/occupancy.py
lib-python/giant/structure/restraints/peptides.py
lib-python/giant/templates/__init__.py
lib-python/giant/xray/__init__.py
lib-python/giant/xray/edstats.py
lib-python/giant/xray/refine.py
lib-python/giant/xray/scaling.py
lib-python/giant/xray/symmetry.py
lib-python/giant/xray/tls.py
lib-python/giant/xray/unit_cell.py
lib-python/giant/xray/crystal/__init__.py
lib-python/giant/xray/crystal/cluster.py
lib-python/giant/xray/data/__init__.py
lib-python/giant/xray/maps/__init__.py
lib-python/giant/xray/maps/bdc.py
lib-python/giant/xray/maps/local_align.py
lib-python/giant/xray/maps/scale.py
lib-python/pandda/__init__.py
lib-python/pandda/constants.py
lib-python/pandda/html.py
lib-python/pandda/old_code.py
lib-python/pandda/phil.py
lib-python/pandda/summary.py
lib-python/pandda/analyse/__init__.py
lib-python/pandda/analyse/classes.py
lib-python/pandda/analyse/events.py
lib-python/pandda/analyse/functions.py
lib-python/pandda/analyse/graphs.py
lib-python/pandda/analyse/html.py
lib-python/pandda/analyse/z_maps.py
lib-python/pandda/inspect/__init__.py
lib-python/pandda/inspect/html.py
lib-python/pandda/jiffies/__init__.py
lib-python/pandda/jiffies/map_variation.py
lib-python/pandda/jiffies/pandda_clean.py
lib-python/pandda/jiffies/pandda_export.py
lib-python/pandda/jiffies/pandda_migrate.py
lib-python/pandda/jiffies/pandda_summary.py
lib-python/pandda/jiffies/transform_coordinates.py
lib-python/pandda/regression/__init__.py
lib-python/pandda/regression/tst_classes.py
lib-python/pandda/resources/__init__.py
lib-python/pandda/resources/__init__.pyc
lib-python/pandda/resources/pandda-logo-small.png
lib-python/pandda/resources/pandda-logo.png
lib-python/pandda/resources/inspect/0.2-sigma-anno.png
lib-python/pandda/resources/inspect/0.2-sigma.png
lib-python/pandda/resources/inspect/1-sigma-anno.png
lib-python/pandda/resources/inspect/1-sigma.png
lib-python/pandda/resources/inspect/__init__.py
lib-python/pandda/resources/inspect/__init__.pyc
lib-python/pandda/templates/__init__.py
lib-python/pandda/templates/ccp4mg-pic.py
lib-python/pandda/templates/load_pandda_maps.pml
lib-python/pandda/templates/pandda_summary.html
lib-python/pandda/test_files/pandda_results_example.html
lib-python/pandda/test_files/pandda_results_example_basic.html
lib-python/panddas.egg-info/PKG-INFO
lib-python/panddas.egg-info/SOURCES.txt
lib-python/panddas.egg-info/dependency_links.txt
lib-python/panddas.egg-info/requires.txt
lib-python/panddas.egg-info/top_level.txt
prototypes/crud.prepare_data
prototypes/crud.reduce_ensemble
prototypes/ensemble-functions.py
prototypes/giant.multi.adp_analyse
prototypes/giant.multi.adp_refine
prototypes/giant.simulate.from_model
prototypes/giant.simulate.from_model_series
prototypes/giant.simulate.mlfsom_and_data_processing
prototypes/pandda.analyse_rt_variation
prototypes/pandda.compare_BDC_and_refined_occupancy
prototypes/pandda.compare_output_to_known_results
prototypes/pandda.generate_BDC_estimation_curve
prototypes/pandda.generate_BDC_maps
prototypes/pandda.show_variation
prototypes/pandemic.adp
prototypes/pandemic.adp_sweep
scripts/._pyPDBeREST-master
scripts/ccp4.download_nightly
scripts/ccp4.get_monomer
scripts/giant.er_sweep
scripts/giant.local_align
scripts/giant.multi.amplitudes_to_intensities
scripts/giant.multi.dimple
scripts/giant.multi.map_coefficients
scripts/giant.multi.mtz.reindex
scripts/giant.multi.quick_refine
scripts/giant.multi.table_ones
scripts/giant.multi_conformer_to_multi_model
scripts/giant.sanitise_model
scripts/pandda.run_test_analysis
scripts/pdb.download_pdb
scripts/pdb.extract_meta
scripts/pdb.find_groups_of_related_structures
scripts/pdb.get_het_occupancies
scripts/pdb.pdbe_restful_test
scripts/quick.mtz_insert_f000
scripts/quick.mtz_merge
scripts/quick.mtz_phase_differences
scripts/quick.refmac
scripts/quick.smile_to_png