biotite 0.41.2__cp312-cp312-win_amd64.whl → 1.0.1__cp312-cp312-win_amd64.whl
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- biotite/__init__.py +2 -3
- biotite/application/__init__.py +1 -1
- biotite/application/application.py +20 -10
- biotite/application/autodock/__init__.py +1 -1
- biotite/application/autodock/app.py +74 -79
- biotite/application/blast/__init__.py +1 -1
- biotite/application/blast/alignment.py +19 -10
- biotite/application/blast/webapp.py +92 -85
- biotite/application/clustalo/__init__.py +1 -1
- biotite/application/clustalo/app.py +46 -61
- biotite/application/dssp/__init__.py +1 -1
- biotite/application/dssp/app.py +8 -11
- biotite/application/localapp.py +62 -60
- biotite/application/mafft/__init__.py +1 -1
- biotite/application/mafft/app.py +16 -22
- biotite/application/msaapp.py +78 -89
- biotite/application/muscle/__init__.py +1 -1
- biotite/application/muscle/app3.py +50 -64
- biotite/application/muscle/app5.py +23 -31
- biotite/application/sra/__init__.py +1 -1
- biotite/application/sra/app.py +64 -68
- biotite/application/tantan/__init__.py +1 -1
- biotite/application/tantan/app.py +22 -45
- biotite/application/util.py +7 -9
- biotite/application/viennarna/rnaalifold.py +34 -28
- biotite/application/viennarna/rnafold.py +24 -39
- biotite/application/viennarna/rnaplot.py +36 -21
- biotite/application/viennarna/util.py +17 -12
- biotite/application/webapp.py +13 -14
- biotite/copyable.py +13 -13
- biotite/database/__init__.py +1 -1
- biotite/database/entrez/__init__.py +1 -1
- biotite/database/entrez/check.py +2 -3
- biotite/database/entrez/dbnames.py +7 -5
- biotite/database/entrez/download.py +55 -49
- biotite/database/entrez/key.py +1 -1
- biotite/database/entrez/query.py +62 -23
- biotite/database/error.py +2 -1
- biotite/database/pubchem/__init__.py +1 -1
- biotite/database/pubchem/download.py +43 -45
- biotite/database/pubchem/error.py +2 -2
- biotite/database/pubchem/query.py +34 -31
- biotite/database/pubchem/throttle.py +3 -4
- biotite/database/rcsb/__init__.py +1 -1
- biotite/database/rcsb/download.py +44 -52
- biotite/database/rcsb/query.py +85 -80
- biotite/database/uniprot/check.py +6 -3
- biotite/database/uniprot/download.py +6 -11
- biotite/database/uniprot/query.py +115 -31
- biotite/file.py +12 -31
- biotite/sequence/__init__.py +3 -3
- biotite/sequence/align/__init__.py +2 -2
- biotite/sequence/align/alignment.py +99 -90
- biotite/sequence/align/banded.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/buckets.py +12 -10
- biotite/sequence/align/cigar.py +43 -52
- biotite/sequence/align/kmeralphabet.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/kmeralphabet.pyx +55 -51
- biotite/sequence/align/kmersimilarity.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/kmertable.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/kmertable.pyx +3 -2
- biotite/sequence/align/localgapped.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/localungapped.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/matrix.py +81 -82
- biotite/sequence/align/multiple.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/multiple.pyx +1 -1
- biotite/sequence/align/pairwise.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/permutation.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/permutation.pyx +12 -4
- biotite/sequence/align/selector.cp312-win_amd64.pyd +0 -0
- biotite/sequence/align/selector.pyx +52 -54
- biotite/sequence/align/statistics.py +32 -33
- biotite/sequence/align/tracetable.cp312-win_amd64.pyd +0 -0
- biotite/sequence/alphabet.py +51 -65
- biotite/sequence/annotation.py +78 -77
- biotite/sequence/codec.cp312-win_amd64.pyd +0 -0
- biotite/sequence/codon.py +90 -79
- biotite/sequence/graphics/__init__.py +1 -1
- biotite/sequence/graphics/alignment.py +184 -103
- biotite/sequence/graphics/colorschemes.py +10 -12
- biotite/sequence/graphics/dendrogram.py +79 -34
- biotite/sequence/graphics/features.py +133 -99
- biotite/sequence/graphics/logo.py +22 -28
- biotite/sequence/graphics/plasmid.py +229 -178
- biotite/sequence/io/fasta/__init__.py +1 -1
- biotite/sequence/io/fasta/convert.py +44 -33
- biotite/sequence/io/fasta/file.py +42 -55
- biotite/sequence/io/fastq/__init__.py +1 -1
- biotite/sequence/io/fastq/convert.py +11 -14
- biotite/sequence/io/fastq/file.py +68 -112
- biotite/sequence/io/genbank/__init__.py +2 -2
- biotite/sequence/io/genbank/annotation.py +12 -20
- biotite/sequence/io/genbank/file.py +74 -76
- biotite/sequence/io/genbank/metadata.py +74 -62
- biotite/sequence/io/genbank/sequence.py +13 -14
- biotite/sequence/io/general.py +39 -30
- biotite/sequence/io/gff/__init__.py +2 -2
- biotite/sequence/io/gff/convert.py +10 -15
- biotite/sequence/io/gff/file.py +81 -65
- biotite/sequence/phylo/__init__.py +1 -1
- biotite/sequence/phylo/nj.cp312-win_amd64.pyd +0 -0
- biotite/sequence/phylo/tree.cp312-win_amd64.pyd +0 -0
- biotite/sequence/phylo/upgma.cp312-win_amd64.pyd +0 -0
- biotite/sequence/profile.py +57 -28
- biotite/sequence/search.py +17 -15
- biotite/sequence/seqtypes.py +200 -164
- biotite/sequence/sequence.py +15 -17
- biotite/structure/__init__.py +3 -3
- biotite/structure/atoms.py +246 -236
- biotite/structure/basepairs.py +260 -271
- biotite/structure/bonds.cp312-win_amd64.pyd +0 -0
- biotite/structure/bonds.pyx +29 -32
- biotite/structure/box.py +67 -71
- biotite/structure/celllist.cp312-win_amd64.pyd +0 -0
- biotite/structure/chains.py +55 -39
- biotite/structure/charges.cp312-win_amd64.pyd +0 -0
- biotite/structure/compare.py +32 -32
- biotite/structure/density.py +13 -18
- biotite/structure/dotbracket.py +20 -22
- biotite/structure/error.py +10 -2
- biotite/structure/filter.py +83 -78
- biotite/structure/geometry.py +130 -119
- biotite/structure/graphics/atoms.py +60 -43
- biotite/structure/graphics/rna.py +81 -68
- biotite/structure/hbond.py +112 -93
- biotite/structure/info/__init__.py +0 -2
- biotite/structure/info/atoms.py +10 -11
- biotite/structure/info/bonds.py +41 -43
- biotite/structure/info/ccd.py +4 -5
- biotite/structure/info/groups.py +1 -3
- biotite/structure/info/masses.py +5 -10
- biotite/structure/info/misc.py +1 -1
- biotite/structure/info/radii.py +20 -20
- biotite/structure/info/standardize.py +15 -26
- biotite/structure/integrity.py +18 -71
- biotite/structure/io/__init__.py +3 -4
- biotite/structure/io/dcd/__init__.py +1 -1
- biotite/structure/io/dcd/file.py +22 -20
- biotite/structure/io/general.py +47 -61
- biotite/structure/io/gro/__init__.py +1 -1
- biotite/structure/io/gro/file.py +73 -72
- biotite/structure/io/mol/__init__.py +1 -1
- biotite/structure/io/mol/convert.py +8 -11
- biotite/structure/io/mol/ctab.py +37 -36
- biotite/structure/io/mol/header.py +14 -10
- biotite/structure/io/mol/mol.py +9 -53
- biotite/structure/io/mol/sdf.py +47 -50
- biotite/structure/io/netcdf/__init__.py +1 -1
- biotite/structure/io/netcdf/file.py +24 -23
- biotite/structure/io/pdb/__init__.py +1 -1
- biotite/structure/io/pdb/convert.py +32 -20
- biotite/structure/io/pdb/file.py +151 -172
- biotite/structure/io/pdb/hybrid36.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/pdbqt/__init__.py +1 -1
- biotite/structure/io/pdbqt/convert.py +17 -11
- biotite/structure/io/pdbqt/file.py +128 -80
- biotite/structure/io/pdbx/__init__.py +1 -2
- biotite/structure/io/pdbx/bcif.py +36 -44
- biotite/structure/io/pdbx/cif.py +140 -110
- biotite/structure/io/pdbx/component.py +10 -16
- biotite/structure/io/pdbx/convert.py +260 -258
- biotite/structure/io/pdbx/encoding.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/trajfile.py +90 -107
- biotite/structure/io/trr/__init__.py +1 -1
- biotite/structure/io/trr/file.py +12 -15
- biotite/structure/io/xtc/__init__.py +1 -1
- biotite/structure/io/xtc/file.py +11 -14
- biotite/structure/mechanics.py +9 -11
- biotite/structure/molecules.py +3 -4
- biotite/structure/pseudoknots.py +53 -67
- biotite/structure/rdf.py +23 -21
- biotite/structure/repair.py +137 -86
- biotite/structure/residues.py +26 -16
- biotite/structure/sasa.cp312-win_amd64.pyd +0 -0
- biotite/structure/{resutil.py → segments.py} +24 -23
- biotite/structure/sequence.py +10 -11
- biotite/structure/sse.py +100 -119
- biotite/structure/superimpose.py +39 -77
- biotite/structure/transform.py +97 -71
- biotite/structure/util.py +11 -13
- biotite/version.py +2 -2
- biotite/visualize.py +69 -55
- {biotite-0.41.2.dist-info → biotite-1.0.1.dist-info}/METADATA +6 -5
- biotite-1.0.1.dist-info/RECORD +322 -0
- biotite/structure/io/ctab.py +0 -72
- biotite/structure/io/mmtf/__init__.py +0 -21
- biotite/structure/io/mmtf/assembly.py +0 -214
- biotite/structure/io/mmtf/convertarray.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/mmtf/convertarray.pyx +0 -341
- biotite/structure/io/mmtf/convertfile.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/mmtf/convertfile.pyx +0 -501
- biotite/structure/io/mmtf/decode.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/mmtf/decode.pyx +0 -152
- biotite/structure/io/mmtf/encode.cp312-win_amd64.pyd +0 -0
- biotite/structure/io/mmtf/encode.pyx +0 -183
- biotite/structure/io/mmtf/file.py +0 -233
- biotite/structure/io/npz/__init__.py +0 -20
- biotite/structure/io/npz/file.py +0 -152
- biotite/structure/io/pdbx/legacy.py +0 -267
- biotite/structure/io/tng/__init__.py +0 -13
- biotite/structure/io/tng/file.py +0 -46
- biotite/temp.py +0 -86
- biotite-0.41.2.dist-info/RECORD +0 -340
- {biotite-0.41.2.dist-info → biotite-1.0.1.dist-info}/WHEEL +0 -0
- {biotite-0.41.2.dist-info → biotite-1.0.1.dist-info}/licenses/LICENSE.rst +0 -0
biotite/sequence/sequence.py
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@@ -10,16 +10,15 @@ __name__ = "biotite.sequence"
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__author__ = "Patrick Kunzmann"
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__all__ = ["Sequence"]
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import numbers
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import abc
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import numbers
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import numpy as np
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from .
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from biotite.copyable import Copyable
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from biotite.sequence.alphabet import LetterAlphabet
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_size_uint8
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_size_uint16 = np.iinfo(np.uint16).max +1
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_size_uint32 = np.iinfo(np.uint32).max +1
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_size_uint8 = np.iinfo(np.uint8).max + 1
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_size_uint16 = np.iinfo(np.uint16).max + 1
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_size_uint32 = np.iinfo(np.uint32).max + 1
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class Sequence(Copyable, metaclass=abc.ABCMeta):
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corresponding number of occurences in the sequence as
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values.
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"""
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return {
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in zip(self.get_alphabet().get_symbols(), counts)
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for symbol, count in zip(self.get_alphabet().get_symbols(), counts)
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def __getitem__(self, index):
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def __add__(self, sequence):
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biotite/structure/__init__.py
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# util and resutil are used internally
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# util and segments are used internally
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