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Add `dihedral_side_chain()`

#827Merged
Comparing
padix-key:chi-dihedrals
(
830fc43
) with
main
(
6268d59
)
CodSpeed Performance Gauge
+35%
Improvement
3
Untouched
56

Benchmarks

59 total
benchmark_structural_alphabet_methods[to_protein_blocks]
benchmarks/structure/benchmark_alphabet.py
CodSpeed Performance Gauge
+35%
8.9 ms6.5 ms
benchmark_structural_alphabet_methods[to_3di]
benchmarks/structure/benchmark_alphabet.py
CodSpeed Performance Gauge
+27%
13.1 ms10.3 ms
benchmark_superimpose[superimpose_structural_homologs]
benchmarks/structure/benchmark_superimpose.py
CodSpeed Performance Gauge
+21%
39.4 ms32.5 ms
benchmark_deserialize_pdbx[cif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
107.9 ms107.2 ms
benchmark_deserialize_pdbx[bcif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
119.2 ms118.5 ms
benchmark_lddt[False-all]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
+1%
228.1 ms226.8 ms
benchmark_get_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
126.2 ms125.9 ms
benchmark_get_structure[bcif-False]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
19.6 ms19.6 ms
benchmark_serialize_pdbx[cif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
202.1 ms201.8 ms
test_pickle_and_unpickle[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
38.9 ms38.8 ms
benchmark_get_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
83.9 ms83.8 ms
benchmark_indexing_from_kmers[None-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
13.3 ms13.3 ms
benchmark_kmer_decomposition[11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
185.5 µs185.4 µs
benchmark_lddt[False-chain]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
319.9 ms319.7 ms
benchmark_set_structure[cif-False]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
104.7 ms104.6 ms
benchmark_lddt[False-residue]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
325.3 ms325.1 ms
benchmark_lddt[False-atom]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
313.9 ms313.7 ms
benchmark_superimpose[superimpose_without_outliers]
benchmarks/structure/benchmark_superimpose.py
CodSpeed Performance Gauge
0%
17.3 ms17.3 ms
benchmark_match_table[BucketKmerTable(10000)-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
13 ms13 ms
test_pickle_and_unpickle[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
38.9 ms38.9 ms
benchmark_lddt[True-all]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
882.4 ms882.2 ms
benchmark_indexing_from_kmer_selection[11*11*1*1***111-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
9.3 ms9.3 ms
benchmark_lddt[True-atom]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
1.9 s1.9 s
benchmark_lddt[True-residue]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
1.9 s1.9 s
benchmark_lddt[True-chain]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
0%
1.9 s1.9 s

Commits

Click on a commit to change the comparison range
Base
main
6268d59
+35.48%
Add residue level functionality to get atom names per residue
830fc43
7 months ago
by padix-key
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