biotite 0.39.0__cp311-cp311-macosx_11_0_arm64.whl → 0.41.0__cp311-cp311-macosx_11_0_arm64.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
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- biotite/__init__.py +3 -3
- biotite/application/dssp/app.py +18 -18
- biotite/database/pubchem/download.py +23 -23
- biotite/database/pubchem/query.py +7 -7
- biotite/database/rcsb/download.py +19 -14
- biotite/file.py +17 -9
- biotite/sequence/align/banded.c +258 -237
- biotite/sequence/align/banded.cpython-311-darwin.so +0 -0
- biotite/sequence/align/cigar.py +60 -15
- biotite/sequence/align/kmeralphabet.c +243 -222
- biotite/sequence/align/kmeralphabet.cpython-311-darwin.so +0 -0
- biotite/sequence/align/kmersimilarity.c +215 -196
- biotite/sequence/align/kmersimilarity.cpython-311-darwin.so +0 -0
- biotite/sequence/align/kmertable.cpp +233 -205
- biotite/sequence/align/kmertable.cpython-311-darwin.so +0 -0
- biotite/sequence/align/localgapped.c +258 -237
- biotite/sequence/align/localgapped.cpython-311-darwin.so +0 -0
- biotite/sequence/align/localungapped.c +235 -214
- biotite/sequence/align/localungapped.cpython-311-darwin.so +0 -0
- biotite/sequence/align/multiple.c +255 -234
- biotite/sequence/align/multiple.cpython-311-darwin.so +0 -0
- biotite/sequence/align/pairwise.c +274 -253
- biotite/sequence/align/pairwise.cpython-311-darwin.so +0 -0
- biotite/sequence/align/permutation.c +215 -196
- biotite/sequence/align/permutation.cpython-311-darwin.so +0 -0
- biotite/sequence/align/selector.c +217 -197
- biotite/sequence/align/selector.cpython-311-darwin.so +0 -0
- biotite/sequence/align/tracetable.c +215 -195
- biotite/sequence/align/tracetable.cpython-311-darwin.so +0 -0
- biotite/sequence/annotation.py +2 -2
- biotite/sequence/codec.c +235 -214
- biotite/sequence/codec.cpython-311-darwin.so +0 -0
- biotite/sequence/io/fasta/convert.py +27 -24
- biotite/sequence/phylo/nj.c +215 -196
- biotite/sequence/phylo/nj.cpython-311-darwin.so +0 -0
- biotite/sequence/phylo/tree.c +227 -202
- biotite/sequence/phylo/tree.cpython-311-darwin.so +0 -0
- biotite/sequence/phylo/upgma.c +215 -196
- biotite/sequence/phylo/upgma.cpython-311-darwin.so +0 -0
- biotite/structure/__init__.py +2 -0
- biotite/structure/basepairs.py +7 -12
- biotite/structure/bonds.c +1437 -1279
- biotite/structure/bonds.cpython-311-darwin.so +0 -0
- biotite/structure/celllist.c +217 -197
- biotite/structure/celllist.cpython-311-darwin.so +0 -0
- biotite/structure/charges.c +1052 -1101
- biotite/structure/charges.cpython-311-darwin.so +0 -0
- biotite/structure/dotbracket.py +2 -0
- biotite/structure/filter.py +30 -37
- biotite/structure/info/__init__.py +5 -8
- biotite/structure/info/atoms.py +31 -68
- biotite/structure/info/bonds.py +47 -101
- biotite/structure/info/ccd/README.rst +8 -0
- biotite/structure/info/ccd/amino_acids.txt +1663 -0
- biotite/structure/info/ccd/carbohydrates.txt +1135 -0
- biotite/structure/info/ccd/components.bcif +0 -0
- biotite/structure/info/ccd/nucleotides.txt +798 -0
- biotite/structure/info/ccd.py +95 -0
- biotite/structure/info/groups.py +90 -0
- biotite/structure/info/masses.py +21 -20
- biotite/structure/info/misc.py +78 -25
- biotite/structure/info/standardize.py +17 -12
- biotite/structure/integrity.py +19 -70
- biotite/structure/io/__init__.py +2 -4
- biotite/structure/io/ctab.py +12 -106
- biotite/structure/io/general.py +167 -181
- biotite/structure/io/gro/file.py +16 -16
- biotite/structure/io/mmtf/__init__.py +3 -0
- biotite/structure/io/mmtf/convertarray.c +219 -198
- biotite/structure/io/mmtf/convertarray.cpython-311-darwin.so +0 -0
- biotite/structure/io/mmtf/convertfile.c +217 -197
- biotite/structure/io/mmtf/convertfile.cpython-311-darwin.so +0 -0
- biotite/structure/io/mmtf/decode.c +225 -204
- biotite/structure/io/mmtf/decode.cpython-311-darwin.so +0 -0
- biotite/structure/io/mmtf/encode.c +215 -196
- biotite/structure/io/mmtf/encode.cpython-311-darwin.so +0 -0
- biotite/structure/io/mmtf/file.py +34 -26
- biotite/structure/io/mol/__init__.py +4 -2
- biotite/structure/io/mol/convert.py +71 -7
- biotite/structure/io/mol/ctab.py +414 -0
- biotite/structure/io/mol/header.py +116 -0
- biotite/structure/io/mol/{file.py → mol.py} +69 -82
- biotite/structure/io/mol/sdf.py +909 -0
- biotite/structure/io/npz/__init__.py +3 -0
- biotite/structure/io/npz/file.py +21 -18
- biotite/structure/io/pdb/__init__.py +3 -3
- biotite/structure/io/pdb/file.py +89 -34
- biotite/structure/io/pdb/hybrid36.c +63 -43
- biotite/structure/io/pdb/hybrid36.cpython-311-darwin.so +0 -0
- biotite/structure/io/pdbqt/file.py +32 -32
- biotite/structure/io/pdbx/__init__.py +12 -6
- biotite/structure/io/pdbx/bcif.py +648 -0
- biotite/structure/io/pdbx/cif.py +1032 -0
- biotite/structure/io/pdbx/component.py +246 -0
- biotite/structure/io/pdbx/convert.py +858 -386
- biotite/structure/io/pdbx/encoding.c +112813 -0
- biotite/structure/io/pdbx/encoding.cpython-311-darwin.so +0 -0
- biotite/structure/io/pdbx/legacy.py +267 -0
- biotite/structure/molecules.py +151 -151
- biotite/structure/repair.py +253 -0
- biotite/structure/sasa.c +215 -196
- biotite/structure/sasa.cpython-311-darwin.so +0 -0
- biotite/structure/sequence.py +112 -0
- biotite/structure/superimpose.py +618 -116
- {biotite-0.39.0.dist-info → biotite-0.41.0.dist-info}/METADATA +3 -3
- {biotite-0.39.0.dist-info → biotite-0.41.0.dist-info}/RECORD +109 -103
- {biotite-0.39.0.dist-info → biotite-0.41.0.dist-info}/WHEEL +1 -1
- biotite/structure/info/amino_acids.json +0 -1556
- biotite/structure/info/amino_acids.py +0 -42
- biotite/structure/info/carbohydrates.json +0 -1122
- biotite/structure/info/carbohydrates.py +0 -39
- biotite/structure/info/intra_bonds.msgpack +0 -0
- biotite/structure/info/link_types.msgpack +0 -1
- biotite/structure/info/nucleotides.json +0 -772
- biotite/structure/info/nucleotides.py +0 -39
- biotite/structure/info/residue_masses.msgpack +0 -0
- biotite/structure/info/residue_names.msgpack +0 -3
- biotite/structure/info/residues.msgpack +0 -0
- biotite/structure/io/pdbx/file.py +0 -652
- {biotite-0.39.0.dist-info → biotite-0.41.0.dist-info}/LICENSE.rst +0 -0
- {biotite-0.39.0.dist-info → biotite-0.41.0.dist-info}/top_level.txt +0 -0
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Name: biotite
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Version: 0.
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Version: 0.41.0
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Summary: A comprehensive library for computational molecular biology
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Author: The Biotite contributors
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License: BSD 3-Clause License
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Classifier: Programming Language :: Python :: Implementation :: CPython
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biotite-0.41.0.dist-info/LICENSE.rst,sha256=ZuNQuB65Dxf0rDB_5LxvA4SVQJBWxRZyvbjbvE-APWY,1534
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biotite-0.41.0.dist-info/top_level.txt,sha256=Tvj5T6Zfz3AhevTRlDRVhNC1WgPlFk-wDtSkzTgFM8w,8
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biotite-0.41.0.dist-info/METADATA,sha256=aDKbtvmKoRovoSXYPhKN_VjcLFM8XkfPSmqKV0X9zQ4,7152
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biotite/copyable.py,sha256=Rmsso_e9quxWc23SBQh2M45jTT36SerwSmt3ONng04M,1972
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