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Fix missing intra-residue bonds in PDBx files

#891Merged
Comparing
padix-key:fix-missing-intra-bonds
(
7b2f910
) with
main
(
028b560
)
CodSpeed Performance Gauge
0%
Untouched
98

Benchmarks

98 total
benchmark_kmer_decomposition[None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+2%
137.3 µs135.1 µs
benchmark_cell_list_creation
benchmarks/structure/benchmark_celllist.py
CodSpeed Performance Gauge
+1%
944.6 µs931.5 µs
benchmark_match[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
494.6 µs491.2 µs
benchmark_read
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
+1%
3.5 ms3.5 ms
benchmark_clustering[upgma]
benchmarks/sequence/benchmark_phylo.py
CodSpeed Performance Gauge
+1%
490.6 µs487.8 µs
benchmark_lddt[False-all]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
+1%
227.4 ms226.1 ms
benchmark_structural_alphabet_methods[to_protein_blocks]
benchmarks/structure/benchmark_alphabet.py
CodSpeed Performance Gauge
0%
7 ms6.9 ms
benchmark_create_kmers
benchmarks/sequence/align/benchmark_kmer.py
CodSpeed Performance Gauge
0%
233.7 µs232.6 µs
benchmark_lddt[False-atom]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
311.5 ms310.2 ms
benchmark_similar_kmers
benchmarks/sequence/align/benchmark_kmer.py
CodSpeed Performance Gauge
0%
318.9 µs318.1 µs
benchmark_get_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
124.8 ms124.5 ms
benchmark_conversion[as_array]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
0%
115.9 µs115.6 µs
benchmark_lddt[False-chain]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
317.6 ms316.9 ms
benchmark_lddt[False-residue]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
322.9 ms322.2 ms
benchmark_conversion[as_graph]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
0%
8.7 ms8.7 ms
benchmark_compress
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
699.9 ms698.5 ms
benchmark_get_structure[cif-False]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
58.6 ms58.5 ms
benchmark_conversion[get_all_bonds]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
0%
179.8 µs179.5 µs
benchmark_align_pairwise[align_local_gapped]
benchmarks/sequence/align/benchmark_pairwise.py
CodSpeed Performance Gauge
0%
77 ms76.9 ms
benchmark_superimpose[superimpose_without_outliers]
benchmarks/structure/benchmark_superimpose.py
CodSpeed Performance Gauge
0%
17.3 ms17.3 ms
benchmark_lddt[True-all]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
885.2 ms883.9 ms
test_pickle_and_unpickle[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
39 ms39 ms
benchmark_match[BucketKmerTable(10000)-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
623.7 µs623 µs
benchmark_get_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
81.7 ms81.6 ms
benchmark_kmer_decomposition[11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
185.4 µs185.2 µs

Commits

Click on a commit to change the comparison range
Base
main
028b560
-0.1%
Fix missing intra-residue bonds in PDBx files
b9b99ed
4 days ago
by padix-key
+0.16%
Adapt doctests to updated database outputs
7b2f910
22 hours ago
by padix-key
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