| model_workflow/__init__.py |
11 |
6 |
0 |
45% |
| model_workflow/__main__.py |
3 |
3 |
0 |
0% |
| model_workflow/analyses/__init__.py |
0 |
0 |
0 |
100% |
| model_workflow/analyses/area_per_lipid.py |
45 |
0 |
0 |
100% |
| model_workflow/analyses/clusters.py |
126 |
5 |
0 |
96% |
| model_workflow/analyses/density.py |
32 |
0 |
0 |
100% |
| model_workflow/analyses/dihedral_energies.py |
49 |
42 |
0 |
14% |
| model_workflow/analyses/distance_per_residue.py |
66 |
9 |
0 |
86% |
| model_workflow/analyses/energies.py |
345 |
54 |
0 |
84% |
| model_workflow/analyses/helical_parameters.py |
472 |
54 |
0 |
89% |
| model_workflow/analyses/hydrogen_bonds.py |
108 |
17 |
0 |
84% |
| model_workflow/analyses/lipid_interactions.py |
35 |
0 |
0 |
100% |
| model_workflow/analyses/lipid_order.py |
90 |
3 |
0 |
97% |
| model_workflow/analyses/markov.py |
58 |
49 |
0 |
16% |
| model_workflow/analyses/markov_2.py |
50 |
50 |
0 |
0% |
| model_workflow/analyses/nassa.py |
684 |
281 |
0 |
59% |
| model_workflow/analyses/pca.py |
64 |
8 |
0 |
88% |
| model_workflow/analyses/pca_contacts.py |
62 |
62 |
0 |
0% |
| model_workflow/analyses/pockets.py |
247 |
24 |
0 |
90% |
| model_workflow/analyses/rgyr.py |
36 |
6 |
0 |
83% |
| model_workflow/analyses/rmsd_check.py |
328 |
272 |
0 |
17% |
| model_workflow/analyses/rmsd_pairwise.py |
48 |
10 |
0 |
79% |
| model_workflow/analyses/rmsd_per_residue.py |
32 |
5 |
0 |
84% |
| model_workflow/analyses/rmsds.py |
61 |
6 |
0 |
90% |
| model_workflow/analyses/rmsf.py |
22 |
3 |
0 |
86% |
| model_workflow/analyses/sasa.py |
70 |
9 |
0 |
87% |
| model_workflow/analyses/thickness.py |
32 |
0 |
0 |
100% |
| model_workflow/analyses/tmscores.py |
54 |
8 |
0 |
85% |
| model_workflow/console.py |
290 |
41 |
0 |
86% |
| model_workflow/mwf.py |
1215 |
238 |
0 |
80% |
| model_workflow/resources/covid_variants.py |
1 |
0 |
0 |
100% |
| model_workflow/tools/__init__.py |
2 |
0 |
0 |
100% |
| model_workflow/tools/chains.py |
143 |
82 |
0 |
43% |
| model_workflow/tools/check_inputs.py |
143 |
61 |
0 |
57% |
| model_workflow/tools/conversions.py |
96 |
23 |
0 |
76% |
| model_workflow/tools/filter_atoms.py |
133 |
83 |
0 |
38% |
| model_workflow/tools/find_interaction_types.py |
38 |
7 |
0 |
82% |
| model_workflow/tools/fix_gromacs_masses.py |
9 |
0 |
0 |
100% |
| model_workflow/tools/generate_ligands_desc.py |
547 |
206 |
0 |
62% |
| model_workflow/tools/generate_lipid_references.py |
29 |
8 |
0 |
72% |
| model_workflow/tools/generate_map.py |
482 |
151 |
0 |
69% |
| model_workflow/tools/generate_membrane_mapping.py |
65 |
10 |
0 |
85% |
| model_workflow/tools/generate_metadata.py |
93 |
26 |
0 |
72% |
| model_workflow/tools/generate_pdb_references.py |
87 |
41 |
0 |
53% |
| model_workflow/tools/generate_topology.py |
44 |
4 |
0 |
91% |
| model_workflow/tools/get_atoms_count.py |
38 |
0 |
0 |
100% |
| model_workflow/tools/get_bonds.py |
170 |
49 |
0 |
71% |
| model_workflow/tools/get_box_size.py |
21 |
2 |
0 |
90% |
| model_workflow/tools/get_charges.py |
69 |
24 |
0 |
65% |
| model_workflow/tools/get_first_frame.py |
14 |
4 |
0 |
71% |
| model_workflow/tools/get_inchi_keys.py |
127 |
42 |
0 |
67% |
| model_workflow/tools/get_pdb_frames.py |
31 |
0 |
0 |
100% |
| model_workflow/tools/get_reduced_trajectory.py |
30 |
16 |
0 |
47% |
| model_workflow/tools/get_screenshot.py |
205 |
26 |
0 |
87% |
| model_workflow/tools/get_summarized_trajectory.py |
7 |
7 |
0 |
0% |
| model_workflow/tools/guess_and_filter.py |
39 |
28 |
0 |
28% |
| model_workflow/tools/image_and_fit.py |
92 |
81 |
0 |
12% |
| model_workflow/tools/nassa_base.py |
75 |
15 |
0 |
80% |
| model_workflow/tools/nassa_loaders.py |
62 |
25 |
0 |
60% |
| model_workflow/tools/process_input_files.py |
157 |
28 |
0 |
82% |
| model_workflow/tools/process_interactions.py |
144 |
73 |
0 |
49% |
| model_workflow/tools/remove_trash.py |
10 |
0 |
0 |
100% |
| model_workflow/tools/residue_mapping.py |
60 |
21 |
0 |
65% |
| model_workflow/tools/structure_corrector.py |
139 |
68 |
0 |
51% |
| model_workflow/tools/xvg_parse.py |
15 |
0 |
0 |
100% |
| model_workflow/utils/__init__.py |
0 |
0 |
0 |
100% |
| model_workflow/utils/arg_cksum.py |
35 |
3 |
0 |
91% |
| model_workflow/utils/auxiliar.py |
234 |
72 |
0 |
69% |
| model_workflow/utils/bibitransformer_nassa.py |
66 |
5 |
0 |
92% |
| model_workflow/utils/cache.py |
27 |
2 |
0 |
93% |
| model_workflow/utils/constants.py |
139 |
1 |
0 |
99% |
| model_workflow/utils/file.py |
115 |
16 |
0 |
86% |
| model_workflow/utils/filters.py |
85 |
34 |
0 |
60% |
| model_workflow/utils/formats.py |
198 |
49 |
0 |
75% |
| model_workflow/utils/gmx_spells.py |
264 |
120 |
0 |
55% |
| model_workflow/utils/heatmaps_nassa.py |
337 |
144 |
0 |
57% |
| model_workflow/utils/httpsf.py |
61 |
61 |
0 |
0% |
| model_workflow/utils/mda_spells.py |
26 |
0 |
0 |
100% |
| model_workflow/utils/mdt_spells.py |
158 |
125 |
0 |
21% |
| model_workflow/utils/nassa_file.py |
77 |
30 |
0 |
61% |
| model_workflow/utils/nucleicacid.py |
73 |
26 |
0 |
64% |
| model_workflow/utils/pyt_spells.py |
70 |
27 |
0 |
61% |
| model_workflow/utils/register.py |
50 |
12 |
0 |
76% |
| model_workflow/utils/remote.py |
108 |
38 |
0 |
65% |
| model_workflow/utils/selections.py |
77 |
10 |
0 |
87% |
| model_workflow/utils/structures.py |
1674 |
225 |
0 |
87% |
| model_workflow/utils/subsets.py |
33 |
9 |
0 |
73% |
| model_workflow/utils/topologies.py |
112 |
5 |
0 |
96% |
| model_workflow/utils/type_hints.py |
10 |
7 |
0 |
30% |
| model_workflow/utils/vmd_spells.py |
292 |
62 |
0 |
79% |
| model_workflow/utils/warnings.py |
6 |
0 |
0 |
100% |