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| .devcontainer/devcontainer.json | |
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| .dockerignore | |
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| .github/workflows/code.yaml | |
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| .gitignore | |
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| .vscode/launch.json | |
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| .vscode/settings.json | |
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| ChangeLog.txt | |
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| Dockerfile | |
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| README.md | |
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| XChemExplorer_dls | |
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| dls_launch.py | 5 | A 0 mins |
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| setup.cfg | |
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| setup.py | 9 | A 0 mins |
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| xce/XChemExplorer.py | 5,159 | F 2 mos |
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| xce/__init__.py | 0 | A 0 mins |
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| xce/__main__.py | 4 | A 0 mins |
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| xce/gui_scripts/__init__.py | 0 | A 0 mins |
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| xce/gui_scripts/datasets_tab.py | 48 | A 0 mins |
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| xce/gui_scripts/deposition_tab.py | 214 | A 2 hrs |
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| xce/gui_scripts/layout.py | 227 | A 2 hrs |
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| xce/gui_scripts/layout_functions.py | 210 | C 1 day |
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| xce/gui_scripts/maps_tab.py | 53 | A 0 mins |
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| xce/gui_scripts/overview_tab.py | 20 | A 0 mins |
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| xce/gui_scripts/pandda_tab.py | 312 | C 1 day |
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| xce/gui_scripts/refinement_tab.py | 10 | A 0 mins |
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| xce/gui_scripts/settings_preferences.py | 627 | D 2 days |
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| xce/gui_scripts/settings_tab.py | 119 | A 1 hr |
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| xce/gui_scripts/stylesheet.py | 79 | A 0 mins |
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| xce/helpers/__init__.py | 0 | A 0 mins |
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| xce/helpers/create_png_of_compound.py | 13 | A 0 mins |
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| xce/helpers/find_best_fitting_ligand.py | 98 | A 1 hr |
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| xce/helpers/make_ligand_links_after_pandda.py | 4 | A 0 mins |
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| xce/helpers/merge_ligand_cif_files.py | 15 | A 0 mins |
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| xce/helpers/phenix_find_TLS_groups.py | 77 | A 2 hrs |
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| xce/helpers/prepare_for_zenodo_upload.py | 110 | C 1 day |
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| xce/helpers/select_ground_state_dataset.py | 188 | D 2 days |
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| xce/helpers/update_data_source_after_refinement.py | 331 | F 1 wk |
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| xce/helpers/update_data_source_for_new_cif_files.py | 45 | A 3 hrs |
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| xce/helpers/update_data_source_for_new_dimple_pdb.py | 133 | A 0 mins |
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| xce/helpers/update_status_flag.py | 12 | A 0 mins |
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| xce/icons/001-ducky.png | |
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| xce/icons/002-chinese-panda-bear.png | |
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| xce/icons/003-internet.png | |
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| xce/icons/004-database-configuration.png | |
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| xce/icons/005-sort-down.png | |
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| xce/icons/006-sort-up.png | |
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| xce/icons/drop-down-round-button.png | |
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| xce/icons/drop-down.png | |
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| xce/image/IMAGE_NOT_AVAILABLE.png | |
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