biotite 0.40.0__cp312-cp312-win_amd64.whl → 0.41.0__cp312-cp312-win_amd64.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 +117 -117
- biotite/sequence/align/banded.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/cigar.py +60 -15
- biotite/sequence/align/kmeralphabet.c +117 -117
- biotite/sequence/align/kmeralphabet.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/kmersimilarity.c +117 -117
- biotite/sequence/align/kmersimilarity.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/kmertable.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/kmertable.cpp +117 -117
- biotite/sequence/align/localgapped.c +117 -117
- biotite/sequence/align/localgapped.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/localungapped.c +117 -117
- biotite/sequence/align/localungapped.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/multiple.c +117 -117
- biotite/sequence/align/multiple.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/pairwise.c +117 -117
- biotite/sequence/align/pairwise.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/permutation.c +117 -117
- biotite/sequence/align/permutation.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/selector.c +117 -117
- biotite/sequence/align/selector.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/tracetable.c +117 -117
- biotite/sequence/align/tracetable.cp312-win_amd64.pyd +0 -0
- biotite/sequence/annotation.py +2 -2
- biotite/sequence/codec.c +117 -117
- biotite/sequence/codec.cp312-win_amd64.pyd +0 -0
- biotite/sequence/io/fasta/convert.py +27 -24
- biotite/sequence/phylo/nj.c +117 -117
- biotite/sequence/phylo/nj.cp312-win_amd64.pyd +0 -0
- biotite/sequence/phylo/tree.c +117 -117
- biotite/sequence/phylo/tree.cp312-win_amd64.pyd +0 -0
- biotite/sequence/phylo/upgma.c +117 -117
- biotite/sequence/phylo/upgma.cp312-win_amd64.pyd +0 -0
- biotite/structure/__init__.py +2 -0
- biotite/structure/bonds.c +1122 -913
- biotite/structure/bonds.cp312-win_amd64.pyd +0 -0
- biotite/structure/celllist.c +117 -117
- biotite/structure/celllist.cp312-win_amd64.pyd +0 -0
- biotite/structure/charges.c +117 -117
- biotite/structure/charges.cp312-win_amd64.pyd +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 +117 -117
- biotite/structure/io/mmtf/convertarray.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/mmtf/convertfile.c +117 -117
- biotite/structure/io/mmtf/convertfile.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/mmtf/decode.c +117 -117
- biotite/structure/io/mmtf/decode.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/mmtf/encode.c +117 -117
- biotite/structure/io/mmtf/encode.cp312-win_amd64.pyd +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.cp312-win_amd64.pyd +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 +117 -117
- biotite/structure/io/pdbx/encoding.cp312-win_amd64.pyd +0 -0
- biotite/structure/repair.py +253 -0
- biotite/structure/sasa.c +117 -117
- biotite/structure/sasa.cp312-win_amd64.pyd +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/pdbqt/convert.py,sha256=8DEo4oOhp5MXqXXr3EWHnKD4y4zI6kqZ-Fjv19g6IjI,4133
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biotite/structure/io/pdbqt/file.py,sha256=okgs4zmpumCDkmrtQqbm6uCaM99J-cJlST1oNqGQqRY,27038
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biotite/structure/io/pdbx/__init__.py,sha256
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biotite/structure/io/pdbx/__init__.py,sha256=aEMr9p4gbeQQFeWgwohV0TBPOa77hFfdhk6pgjTola4,736
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biotite/structure/io/pdbx/bcif.py,sha256=ds0XISbKBb1IDiNm215GW0Yfjlr9u8oA7oqvKQXFlig,21027
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biotite/structure/io/pdbx/cif.py,sha256=_f93PMs269cwEwMszGlqtd4Ajy_wONW1TWdTV8ThLs0,33469
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biotite/structure/io/pdbx/component.py,sha256=v_DJAM8VgDUgT7bQQdqrA7yn6vzU7fy_cQ9YljAvw4U,8389
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biotite/structure/io/pdbx/convert.py,sha256=Pk89MknEXzAitzxYQdpwWSD4zz0IqOl3bFfu1xitGDU,61354
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biotite/structure/io/pdbx/encoding.c,sha256=c0SVt-f_SN83VgTt4ltQKh61CyUPMwC7zzu1Zyx-pUY,4730722
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biotite/structure/io/pdbx/encoding.cp312-win_amd64.pyd,sha256=EV3h2JcJrgviDWH5B1MX5FZblUUXGK7rmkRjjmXY9K0,946688
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biotite/structure/io/pdbx/legacy.py,sha256=Nix6sAg5S4-hRsbRXltx2CIQJKa7B7TPnPEgFLm8XaE,9108
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biotite/structure/io/tng/__init__.py,sha256=3aQ_lcXAswoklT3IkbCK6yLKDMjBJwE7jU0ke0aNLmE,368
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biotite/structure/io/tng/file.py,sha256=MW861kpo8fRqd3GFHFuV0LALkP6Q8nPhQkuj-uz1gU0,1348
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biotite/structure/io/xtc/__init__.py,sha256=NHHFO6mTJCj3pfbP4saehOcKXrYr9CxVMSuJVb9QJHE,368
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biotite/structure/io/xtc/file.py,sha256=UQ-QF5leM2ujMPde8RFe3dNShHXjl8lJ0qWU77QkbCY,1344
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biotite-0.41.0.dist-info/LICENSE.rst,sha256=wDDtR8LuBedgqNIor2N5YGv4nj9flZltCDSu2fhjGbo,1564
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biotite-0.41.0.dist-info/METADATA,sha256=0LGUK1F2cL2-XIIPgWe4eINM6GkgaA3rUggBNeh2MZQ,7340
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biotite-0.41.0.dist-info/WHEEL,sha256=fZWyj_84lK0cA-ZNCsdwhbJl0OTrpWkxInEn424qrSs,102
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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/RECORD,,
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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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