biotite 0.40.0__cp311-cp311-macosx_11_0_arm64.whl → 0.41.0__cp311-cp311-macosx_11_0_arm64.whl
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- biotite/__init__.py +1 -1
- biotite/database/pubchem/download.py +23 -23
- biotite/database/pubchem/query.py +7 -7
- biotite/file.py +17 -9
- biotite/sequence/align/banded.c +119 -119
- biotite/sequence/align/banded.cpython-311-darwin.so +0 -0
- biotite/sequence/align/cigar.py +60 -15
- biotite/sequence/align/kmeralphabet.c +119 -119
- biotite/sequence/align/kmeralphabet.cpython-311-darwin.so +0 -0
- biotite/sequence/align/kmersimilarity.c +119 -119
- biotite/sequence/align/kmersimilarity.cpython-311-darwin.so +0 -0
- biotite/sequence/align/kmertable.cpp +119 -119
- biotite/sequence/align/kmertable.cpython-311-darwin.so +0 -0
- biotite/sequence/align/localgapped.c +119 -119
- biotite/sequence/align/localgapped.cpython-311-darwin.so +0 -0
- biotite/sequence/align/localungapped.c +119 -119
- biotite/sequence/align/localungapped.cpython-311-darwin.so +0 -0
- biotite/sequence/align/multiple.c +119 -119
- biotite/sequence/align/multiple.cpython-311-darwin.so +0 -0
- biotite/sequence/align/pairwise.c +119 -119
- biotite/sequence/align/pairwise.cpython-311-darwin.so +0 -0
- biotite/sequence/align/permutation.c +119 -119
- biotite/sequence/align/permutation.cpython-311-darwin.so +0 -0
- biotite/sequence/align/selector.c +119 -119
- biotite/sequence/align/selector.cpython-311-darwin.so +0 -0
- biotite/sequence/align/tracetable.c +119 -119
- biotite/sequence/align/tracetable.cpython-311-darwin.so +0 -0
- biotite/sequence/annotation.py +2 -2
- biotite/sequence/codec.c +119 -119
- biotite/sequence/codec.cpython-311-darwin.so +0 -0
- biotite/sequence/io/fasta/convert.py +27 -24
- biotite/sequence/phylo/nj.c +119 -119
- biotite/sequence/phylo/nj.cpython-311-darwin.so +0 -0
- biotite/sequence/phylo/tree.c +119 -119
- biotite/sequence/phylo/tree.cpython-311-darwin.so +0 -0
- biotite/sequence/phylo/upgma.c +119 -119
- biotite/sequence/phylo/upgma.cpython-311-darwin.so +0 -0
- biotite/structure/__init__.py +2 -0
- biotite/structure/bonds.c +1124 -915
- biotite/structure/bonds.cpython-311-darwin.so +0 -0
- biotite/structure/celllist.c +119 -119
- biotite/structure/celllist.cpython-311-darwin.so +0 -0
- biotite/structure/charges.c +119 -119
- biotite/structure/charges.cpython-311-darwin.so +0 -0
- biotite/structure/dotbracket.py +2 -0
- biotite/structure/info/atoms.py +6 -1
- biotite/structure/info/bonds.py +1 -1
- biotite/structure/info/ccd/amino_acids.txt +17 -0
- biotite/structure/info/ccd/carbohydrates.txt +2 -0
- biotite/structure/info/ccd/components.bcif +0 -0
- biotite/structure/info/ccd/nucleotides.txt +1 -0
- biotite/structure/info/misc.py +69 -5
- biotite/structure/integrity.py +19 -70
- biotite/structure/io/ctab.py +12 -106
- biotite/structure/io/general.py +157 -165
- biotite/structure/io/gro/file.py +16 -16
- biotite/structure/io/mmtf/convertarray.c +119 -119
- biotite/structure/io/mmtf/convertarray.cpython-311-darwin.so +0 -0
- biotite/structure/io/mmtf/convertfile.c +119 -119
- biotite/structure/io/mmtf/convertfile.cpython-311-darwin.so +0 -0
- biotite/structure/io/mmtf/decode.c +119 -119
- biotite/structure/io/mmtf/decode.cpython-311-darwin.so +0 -0
- biotite/structure/io/mmtf/encode.c +119 -119
- biotite/structure/io/mmtf/encode.cpython-311-darwin.so +0 -0
- 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/pdb/file.py +84 -31
- biotite/structure/io/pdb/hybrid36.cpython-311-darwin.so +0 -0
- biotite/structure/io/pdbx/__init__.py +0 -1
- biotite/structure/io/pdbx/bcif.py +2 -3
- biotite/structure/io/pdbx/cif.py +9 -5
- biotite/structure/io/pdbx/component.py +4 -1
- biotite/structure/io/pdbx/convert.py +203 -79
- biotite/structure/io/pdbx/encoding.c +119 -119
- biotite/structure/io/pdbx/encoding.cpython-311-darwin.so +0 -0
- biotite/structure/repair.py +253 -0
- biotite/structure/sasa.c +119 -119
- biotite/structure/sasa.cpython-311-darwin.so +0 -0
- biotite/structure/sequence.py +112 -0
- biotite/structure/superimpose.py +472 -13
- {biotite-0.40.0.dist-info → biotite-0.41.0.dist-info}/METADATA +2 -2
- {biotite-0.40.0.dist-info → biotite-0.41.0.dist-info}/RECORD +89 -85
- biotite/structure/io/pdbx/error.py +0 -14
- {biotite-0.40.0.dist-info → biotite-0.41.0.dist-info}/LICENSE.rst +0 -0
- {biotite-0.40.0.dist-info → biotite-0.41.0.dist-info}/WHEEL +0 -0
- {biotite-0.40.0.dist-info → biotite-0.41.0.dist-info}/top_level.txt +0 -0
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biotite/structure/io/mmtf/convertarray.cpython-311-darwin.so,sha256=eDRvM-KzOnKtncsgd0cA431NoVwkUeF1PX-EkVlbEsI,194815
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biotite/structure/info/misc.py,sha256=bmG6nycH8s49lAxEwMVnNLCIz95VMCR1EIDQeVyWUyo,3490
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biotite/structure/info/atom_masses.json,sha256=WME4ezDPy-HrEIhxkOGxcmIMdgxf1x7e_xwBkFRdTsY,2383
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biotite/structure/info/__init__.py,sha256=k57tfM03apKfR3UlJMoDXZHS6jilhkeni1DoQa_nWLs,702
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biotite/structure/info/groups.py,sha256=RTJvSclZGxQkcsOH6ML43QWCBkeUQKE4eNSge8MHgPE,2043
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biotite/structure/info/radii.py,sha256=GlTPOCvtqGy7PQJlTOZA57PXg7xPLwKYEy0wcrCmiEc,5648
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biotite/structure/info/standardize.py,sha256=AaYn7mx6Y6NylkeOg1kIpyNoI-KrWbGSXXu_GEcSAZw,7772
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biotite/structure/info/bonds.py,sha256=
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biotite/structure/info/bonds.py,sha256=YDcRf480_M_Sl7j3uoZ7aJZbpfAg4n6tyVoD3ijFtNk,4651
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biotite/structure/info/masses.py,sha256=dnZbg4k_89SuTwFUulyTKAL6Mnk4POPMIVhJLl5xswA,4489
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biotite/structure/info/atoms.py,sha256=
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biotite/structure/info/atoms.py,sha256=qPCAgGF1Rd6e7mIzyBmXF1zMZy6pgX8E3wDeDvC1asU,2568
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biotite/structure/info/ccd.py,sha256=26BnKJEGH6Bhmvkll_ev6HSCIi0hNx_cs_N9hqNXP-4,2754
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biotite/structure/info/ccd/components.bcif,sha256=
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biotite/structure/info/ccd/amino_acids.txt,sha256=
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biotite/structure/info/ccd/components.bcif,sha256=xgvErxils9GNg5s0sGI33B7w4lWeUBZRksPer3japnE,35649254
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biotite/structure/info/ccd/amino_acids.txt,sha256=RUyolncqbsplkY2hlajjOSciigyZEYL1GCx_f63jXx4,6669
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biotite/structure/info/ccd/README.rst,sha256=sfFRGesjpATIp5S8kiEV7cr-Jb51fWLGT4KypmzsoPM,342
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biotite/structure/info/ccd/carbohydrates.txt,sha256=
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biotite/structure/info/ccd/nucleotides.txt,sha256=Q7Zjz45BAO6c2QDAgvYdKtWAqmjQxy2NQ6r-bsZRqv4,3136
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biotite/structure/graphics/__init__.py,sha256=YwMT8-c2DjrkcwyK6jPeDtAKxQda0OhElnwk8J0y3Hc,353
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biotite/structure/graphics/rna.py,sha256=bhIHoB_9sFuZPrHQ8qQnToRiTCfgQ7JLVNIdsQVvkw8,11888
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biotite/structure/graphics/atoms.py,sha256=nMhbmnjytxEDkxTTm2wHM2dObSw3izjvRbqssCW876E,8171
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# This source code is part of the Biotite package and is distributed
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# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further
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# information.
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__name__ = "biotite.structure.io.pdbx"
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__all__ = ["SerializationError", "DeserializationError"]
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class DeserializationError(Exception):
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