| biobb_vs/__init__.py |
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| biobb_vs/fpocket/__init__.py |
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check_input_path |
8 |
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| biobb_vs/fpocket/common.py |
check_output_path |
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| biobb_vs/fpocket/common.py |
is_valid_file |
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0 |
0 |
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check_range |
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4 |
0 |
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process_output_fpocket |
38 |
7 |
0 |
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process_output_fpocket_filter |
6 |
0 |
0 |
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10 |
0 |
0 |
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| biobb_vs/fpocket/fpocket_filter.py |
FPocketFilter.__init__ |
10 |
0 |
0 |
100% |
| biobb_vs/fpocket/fpocket_filter.py |
FPocketFilter.check_data_params |
3 |
0 |
0 |
100% |
| biobb_vs/fpocket/fpocket_filter.py |
FPocketFilter.score_matcher |
1 |
0 |
0 |
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| biobb_vs/fpocket/fpocket_filter.py |
FPocketFilter.druggability_score_matcher |
1 |
0 |
0 |
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| biobb_vs/fpocket/fpocket_filter.py |
FPocketFilter.volume_matcher |
1 |
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| biobb_vs/fpocket/fpocket_filter.py |
FPocketFilter.launch |
37 |
3 |
0 |
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| biobb_vs/fpocket/fpocket_filter.py |
fpocket_filter |
2 |
1 |
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main |
10 |
10 |
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| biobb_vs/fpocket/fpocket_filter.py |
(no function) |
21 |
1 |
0 |
95% |
| biobb_vs/fpocket/fpocket_run.py |
FPocketRun.__init__ |
12 |
0 |
0 |
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| biobb_vs/fpocket/fpocket_run.py |
FPocketRun.check_data_params |
3 |
0 |
0 |
100% |
| biobb_vs/fpocket/fpocket_run.py |
FPocketRun.launch |
25 |
3 |
0 |
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fpocket_run |
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1 |
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main |
10 |
10 |
0 |
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(no function) |
18 |
1 |
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| biobb_vs/fpocket/fpocket_select.py |
FPocketSelect.__init__ |
8 |
0 |
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| biobb_vs/fpocket/fpocket_select.py |
FPocketSelect.check_data_params |
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FPocketSelect.launch |
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fpocket_select |
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main |
10 |
10 |
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| biobb_vs/test/__init__.py |
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0 |
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TestFPocketFilter.setup_class |
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TestFPocketFilter.teardown_class |
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TestFPocketFilter.test_fpocket_filter |
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(no function) |
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TestFPocketRun.setup_class |
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TestFPocketRun.teardown_class |
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0 |
0 |
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| biobb_vs/test/unitests/test_fpocket/test_fpocket_run.py |
TestFPocketRun.test_fpocket_run |
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0 |
0 |
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(no function) |
6 |
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TestFPocketSelect.setup_class |
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| biobb_vs/test/unitests/test_fpocket/test_fpocket_select.py |
TestFPocketSelect.teardown_class |
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0 |
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| biobb_vs/test/unitests/test_fpocket/test_fpocket_select.py |
TestFPocketSelect.test_fpocket_select |
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0 |
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(no function) |
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| biobb_vs/test/unitests/test_utils/test_bindingsite.py |
TestBindingSite.setup_class |
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TestBindingSite.teardown_class |
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TestBindingSite.test_bindingsite |
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TestBox.setup_class |
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TestBox.teardown_class |
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TestBox.test_box |
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TestBoxResidues.setup_class |
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TestBoxResidues.teardown_class |
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TestBoxResidues.test_box_residues |
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(no function) |
6 |
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TestExtractModelPDBQT.setup_class |
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0 |
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TestExtractModelPDBQT.teardown_class |
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0 |
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TestExtractModelPDBQT.test_extract_model_pdbqt |
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| biobb_vs/test/unitests/test_utils/test_extract_model_pdbqt.py |
(no function) |
6 |
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| biobb_vs/test/unitests/test_vina/test_autodock_vina_run.py |
TestAutoDockVinaRun.setup_class |
1 |
0 |
0 |
100% |
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TestAutoDockVinaRun.teardown_class |
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0 |
0 |
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| biobb_vs/test/unitests/test_vina/test_autodock_vina_run.py |
TestAutoDockVinaRun.test_autodock_vina_run |
3 |
0 |
0 |
100% |
| biobb_vs/test/unitests/test_vina/test_autodock_vina_run.py |
(no function) |
6 |
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0 |
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| biobb_vs/utils/__init__.py |
(no function) |
3 |
0 |
0 |
100% |
| biobb_vs/utils/bindingsite.py |
BindingSite.__init__ |
13 |
0 |
0 |
100% |
| biobb_vs/utils/bindingsite.py |
BindingSite.check_data_params |
3 |
0 |
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| biobb_vs/utils/bindingsite.py |
BindingSite.launch |
123 |
24 |
0 |
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| biobb_vs/utils/bindingsite.py |
bindingsite |
2 |
1 |
0 |
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| biobb_vs/utils/bindingsite.py |
main |
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| biobb_vs/utils/bindingsite.py |
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25 |
1 |
0 |
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| biobb_vs/utils/box.py |
Box.__init__ |
9 |
0 |
0 |
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| biobb_vs/utils/box.py |
Box.check_data_params |
2 |
0 |
0 |
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| biobb_vs/utils/box.py |
Box.launch |
43 |
2 |
0 |
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| biobb_vs/utils/box.py |
box |
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1 |
0 |
50% |
| biobb_vs/utils/box.py |
main |
9 |
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| biobb_vs/utils/box.py |
(no function) |
18 |
1 |
0 |
94% |
| biobb_vs/utils/box_residues.py |
BoxResidues.__init__ |
11 |
0 |
0 |
100% |
| biobb_vs/utils/box_residues.py |
BoxResidues.check_data_params |
2 |
0 |
0 |
100% |
| biobb_vs/utils/box_residues.py |
BoxResidues.launch |
51 |
5 |
0 |
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| biobb_vs/utils/box_residues.py |
box_residues |
2 |
1 |
0 |
50% |
| biobb_vs/utils/box_residues.py |
main |
9 |
9 |
0 |
0% |
| biobb_vs/utils/box_residues.py |
(no function) |
25 |
1 |
0 |
96% |
| biobb_vs/utils/common.py |
check_input_path |
8 |
4 |
0 |
50% |
| biobb_vs/utils/common.py |
check_output_path |
10 |
5 |
0 |
50% |
| biobb_vs/utils/common.py |
is_valid_file |
2 |
0 |
0 |
100% |
| biobb_vs/utils/common.py |
get_residue_by_id |
4 |
1 |
0 |
75% |
| biobb_vs/utils/common.py |
get_pdb_sequence |
6 |
0 |
0 |
100% |
| biobb_vs/utils/common.py |
get_pdb_sequence.aa |
1 |
0 |
0 |
100% |
| biobb_vs/utils/common.py |
get_sequence_nucs |
4 |
4 |
0 |
0% |
| biobb_vs/utils/common.py |
align_sequences |
21 |
2 |
0 |
90% |
| biobb_vs/utils/common.py |
calculate_alignment_identity |
5 |
0 |
0 |
100% |
| biobb_vs/utils/common.py |
get_ligand_residues |
18 |
3 |
0 |
83% |
| biobb_vs/utils/common.py |
get_box_coordinates |
16 |
1 |
0 |
94% |
| biobb_vs/utils/common.py |
__ions |
1 |
0 |
0 |
100% |
| biobb_vs/utils/common.py |
__modres |
1 |
0 |
0 |
100% |
| biobb_vs/utils/common.py |
_from_string_to_list |
8 |
5 |
0 |
38% |
| biobb_vs/utils/common.py |
(no function) |
27 |
0 |
0 |
100% |
| biobb_vs/utils/extract_model_pdbqt.py |
ExtractModelPDBQT.__init__ |
8 |
0 |
0 |
100% |
| biobb_vs/utils/extract_model_pdbqt.py |
ExtractModelPDBQT.check_data_params |
2 |
0 |
0 |
100% |
| biobb_vs/utils/extract_model_pdbqt.py |
ExtractModelPDBQT.launch |
34 |
7 |
0 |
79% |
| biobb_vs/utils/extract_model_pdbqt.py |
extract_model_pdbqt |
2 |
1 |
0 |
50% |
| biobb_vs/utils/extract_model_pdbqt.py |
main |
9 |
9 |
0 |
0% |
| biobb_vs/utils/extract_model_pdbqt.py |
(no function) |
24 |
1 |
0 |
96% |
| biobb_vs/vina/__init__.py |
(no function) |
3 |
0 |
0 |
100% |
| biobb_vs/vina/autodock_vina_run.py |
AutoDockVinaRun.__init__ |
13 |
0 |
0 |
100% |
| biobb_vs/vina/autodock_vina_run.py |
AutoDockVinaRun.check_data_params |
5 |
0 |
0 |
100% |
| biobb_vs/vina/autodock_vina_run.py |
AutoDockVinaRun.calculate_box |
9 |
1 |
0 |
89% |
| biobb_vs/vina/autodock_vina_run.py |
AutoDockVinaRun.launch |
11 |
1 |
0 |
91% |
| biobb_vs/vina/autodock_vina_run.py |
autodock_vina_run |
2 |
1 |
0 |
50% |
| biobb_vs/vina/autodock_vina_run.py |
main |
12 |
12 |
0 |
0% |
| biobb_vs/vina/autodock_vina_run.py |
(no function) |
17 |
1 |
0 |
94% |
| biobb_vs/vina/common.py |
check_input_path |
8 |
4 |
0 |
50% |
| biobb_vs/vina/common.py |
check_output_path |
10 |
5 |
0 |
50% |
| biobb_vs/vina/common.py |
is_valid_file |
2 |
0 |
0 |
100% |
| biobb_vs/vina/common.py |
check_mgltools_path |
4 |
4 |
0 |
0% |
| biobb_vs/vina/common.py |
(no function) |
7 |
0 |
0 |
100% |