biotite 0.39.0__cp310-cp310-win_amd64.whl → 0.40.0__cp310-cp310-win_amd64.whl

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Files changed (104) hide show
  1. biotite/__init__.py +3 -3
  2. biotite/application/dssp/app.py +18 -18
  3. biotite/database/rcsb/download.py +19 -14
  4. biotite/sequence/align/banded.c +258 -237
  5. biotite/sequence/align/banded.cp310-win_amd64.pyd +0 -0
  6. biotite/sequence/align/kmeralphabet.c +243 -222
  7. biotite/sequence/align/kmeralphabet.cp310-win_amd64.pyd +0 -0
  8. biotite/sequence/align/kmersimilarity.c +215 -196
  9. biotite/sequence/align/kmersimilarity.cp310-win_amd64.pyd +0 -0
  10. biotite/sequence/align/kmertable.cp310-win_amd64.pyd +0 -0
  11. biotite/sequence/align/kmertable.cpp +233 -205
  12. biotite/sequence/align/localgapped.c +258 -237
  13. biotite/sequence/align/localgapped.cp310-win_amd64.pyd +0 -0
  14. biotite/sequence/align/localungapped.c +235 -214
  15. biotite/sequence/align/localungapped.cp310-win_amd64.pyd +0 -0
  16. biotite/sequence/align/multiple.c +255 -234
  17. biotite/sequence/align/multiple.cp310-win_amd64.pyd +0 -0
  18. biotite/sequence/align/pairwise.c +274 -253
  19. biotite/sequence/align/pairwise.cp310-win_amd64.pyd +0 -0
  20. biotite/sequence/align/permutation.c +215 -196
  21. biotite/sequence/align/permutation.cp310-win_amd64.pyd +0 -0
  22. biotite/sequence/align/selector.c +217 -197
  23. biotite/sequence/align/selector.cp310-win_amd64.pyd +0 -0
  24. biotite/sequence/align/tracetable.c +215 -195
  25. biotite/sequence/align/tracetable.cp310-win_amd64.pyd +0 -0
  26. biotite/sequence/codec.c +235 -214
  27. biotite/sequence/codec.cp310-win_amd64.pyd +0 -0
  28. biotite/sequence/phylo/nj.c +215 -196
  29. biotite/sequence/phylo/nj.cp310-win_amd64.pyd +0 -0
  30. biotite/sequence/phylo/tree.c +227 -202
  31. biotite/sequence/phylo/tree.cp310-win_amd64.pyd +0 -0
  32. biotite/sequence/phylo/upgma.c +215 -196
  33. biotite/sequence/phylo/upgma.cp310-win_amd64.pyd +0 -0
  34. biotite/structure/basepairs.py +7 -12
  35. biotite/structure/bonds.c +1175 -1226
  36. biotite/structure/bonds.cp310-win_amd64.pyd +0 -0
  37. biotite/structure/celllist.c +217 -197
  38. biotite/structure/celllist.cp310-win_amd64.pyd +0 -0
  39. biotite/structure/charges.c +1052 -1101
  40. biotite/structure/charges.cp310-win_amd64.pyd +0 -0
  41. biotite/structure/filter.py +30 -37
  42. biotite/structure/info/__init__.py +5 -8
  43. biotite/structure/info/atoms.py +25 -67
  44. biotite/structure/info/bonds.py +46 -100
  45. biotite/structure/info/ccd/README.rst +8 -0
  46. biotite/structure/info/ccd/amino_acids.txt +1646 -0
  47. biotite/structure/info/ccd/carbohydrates.txt +1133 -0
  48. biotite/structure/info/ccd/components.bcif +0 -0
  49. biotite/structure/info/ccd/nucleotides.txt +797 -0
  50. biotite/structure/info/ccd.py +95 -0
  51. biotite/structure/info/groups.py +90 -0
  52. biotite/structure/info/masses.py +21 -20
  53. biotite/structure/info/misc.py +11 -22
  54. biotite/structure/info/standardize.py +17 -12
  55. biotite/structure/io/__init__.py +2 -4
  56. biotite/structure/io/ctab.py +1 -1
  57. biotite/structure/io/general.py +37 -43
  58. biotite/structure/io/mmtf/__init__.py +3 -0
  59. biotite/structure/io/mmtf/convertarray.c +219 -198
  60. biotite/structure/io/mmtf/convertarray.cp310-win_amd64.pyd +0 -0
  61. biotite/structure/io/mmtf/convertfile.c +217 -197
  62. biotite/structure/io/mmtf/convertfile.cp310-win_amd64.pyd +0 -0
  63. biotite/structure/io/mmtf/decode.c +225 -204
  64. biotite/structure/io/mmtf/decode.cp310-win_amd64.pyd +0 -0
  65. biotite/structure/io/mmtf/encode.c +215 -196
  66. biotite/structure/io/mmtf/encode.cp310-win_amd64.pyd +0 -0
  67. biotite/structure/io/mmtf/file.py +34 -26
  68. biotite/structure/io/npz/__init__.py +3 -0
  69. biotite/structure/io/npz/file.py +21 -18
  70. biotite/structure/io/pdb/__init__.py +3 -3
  71. biotite/structure/io/pdb/file.py +5 -3
  72. biotite/structure/io/pdb/hybrid36.c +63 -43
  73. biotite/structure/io/pdb/hybrid36.cp310-win_amd64.pyd +0 -0
  74. biotite/structure/io/pdbqt/file.py +32 -32
  75. biotite/structure/io/pdbx/__init__.py +13 -6
  76. biotite/structure/io/pdbx/bcif.py +649 -0
  77. biotite/structure/io/pdbx/cif.py +1028 -0
  78. biotite/structure/io/pdbx/component.py +243 -0
  79. biotite/structure/io/pdbx/convert.py +707 -359
  80. biotite/structure/io/pdbx/encoding.c +112813 -0
  81. biotite/structure/io/pdbx/encoding.cp310-win_amd64.pyd +0 -0
  82. biotite/structure/io/pdbx/error.py +14 -0
  83. biotite/structure/io/pdbx/legacy.py +267 -0
  84. biotite/structure/molecules.py +151 -151
  85. biotite/structure/sasa.c +215 -196
  86. biotite/structure/sasa.cp310-win_amd64.pyd +0 -0
  87. biotite/structure/superimpose.py +158 -115
  88. {biotite-0.39.0.dist-info → biotite-0.40.0.dist-info}/METADATA +2 -2
  89. {biotite-0.39.0.dist-info → biotite-0.40.0.dist-info}/RECORD +92 -90
  90. {biotite-0.39.0.dist-info → biotite-0.40.0.dist-info}/WHEEL +1 -1
  91. biotite/structure/info/amino_acids.json +0 -1556
  92. biotite/structure/info/amino_acids.py +0 -42
  93. biotite/structure/info/carbohydrates.json +0 -1122
  94. biotite/structure/info/carbohydrates.py +0 -39
  95. biotite/structure/info/intra_bonds.msgpack +0 -0
  96. biotite/structure/info/link_types.msgpack +0 -1
  97. biotite/structure/info/nucleotides.json +0 -772
  98. biotite/structure/info/nucleotides.py +0 -39
  99. biotite/structure/info/residue_masses.msgpack +0 -0
  100. biotite/structure/info/residue_names.msgpack +0 -3
  101. biotite/structure/info/residues.msgpack +0 -0
  102. biotite/structure/io/pdbx/file.py +0 -652
  103. {biotite-0.39.0.dist-info → biotite-0.40.0.dist-info}/LICENSE.rst +0 -0
  104. {biotite-0.39.0.dist-info → biotite-0.40.0.dist-info}/top_level.txt +0 -0
@@ -1,4 +1,4 @@
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- biotite/__init__.py,sha256=owozDFc8SQWwuheiCCYOy-yH3_j8q-gi9NGQU1qNqoI,543
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+ biotite/__init__.py,sha256=idLYRVttRoHGTws624jHvtwxXEg0zyjQek4xaHbip1s,541
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  biotite/copyable.py,sha256=bS6JvqiG2G-8Kav7hzJb2mhO0mSpgjFvm_LD_t9dTLA,2042
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  biotite/file.py,sha256=M7FlQdNOUjDOBjkLMrzPq-xljwEFe93jFCLrFV6rprw,7578
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@@ -17,7 +17,7 @@ biotite/application/blast/webapp.py,sha256=J_uRQMFMdCOyGP-kEaXRNLgDHopUU68Wcuru5
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  biotite/application/clustalo/__init__.py,sha256=11hGCckaAM6MOv9krf585L5-7JAgRMJv2bxv3UlrgAQ,336
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  biotite/application/clustalo/app.py,sha256=hUA_bFHf_5M-Ath6brNC4-BzI0fdWS04AhDE_pV7M_U,8068
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  biotite/application/dssp/__init__.py,sha256=ILnVuoQhzPQRXDyDVVu2_I4xCejdRtQY8PbsM1UExos,333
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- biotite/application/dssp/app.py,sha256=l9J7VxfXP5WlpoCa-GZiNT1Vv5Tsyt73IwdbtsVkMd0,5081
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+ biotite/application/dssp/app.py,sha256=g2z5u8bty5NxVNufaYavBECg65UlqWpSn98BShblxFg,4980
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  biotite/application/mafft/__init__.py,sha256=AtmjXcE6WsWc8JxbcmUtIHDqPBh8cH1XTZrxWlEihx8,325
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  biotite/application/muscle/__init__.py,sha256=22UWh76stefAwlwMayawfD9kJTjlsXdUfgrsnVze8Bw,349
@@ -46,7 +46,7 @@ biotite/database/pubchem/error.py,sha256=rC91vT5WHPwdanldwLMJWUrYkdFDCZkjCiEHy_W
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  biotite/database/pubchem/query.py,sha256=JhmrlulVF0FAFf92fmCipXkMALqTZgv9EV93pDcDxvs,27267
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  biotite/database/pubchem/throttle.py,sha256=GK-x6_zV7gJ3gUyxEUSbO8YbT5J6Oj3XIB5zs5ZoU1c,3643
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  biotite/database/rcsb/__init__.py,sha256=qb0x-Z4npqOyGi5nY5A-66xXb7woPSy1M2d_jVadRj4,343
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- biotite/database/rcsb/download.py,sha256=aZkP5KrrEChhhZgOv-PKnAiVmfbVBxRTI-lJrRLutL8,5949
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+ biotite/database/rcsb/download.py,sha256=ZlbYbAvCsri4NnpDvaLeCSTJUSlz6etQOExd_301rN0,6163
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  biotite/database/uniprot/__init__.py,sha256=0U1mt1nphhPZomlauOeMEVDfFx-6Npyi2eGsf6ztH6E,347
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@@ -55,8 +55,8 @@ biotite/database/uniprot/query.py,sha256=283jqn5qr_Lfsi5oUQ-LkK5Cutauy8kDih26rZd
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  biotite/sequence/__init__.py,sha256=K2I_Ds-pEmY25pEbzrIKCUMt9De2pPOG-hoMfsxn8nQ,3106
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  biotite/sequence/alphabet.py,sha256=-f1p9hVGEgFbjawce2J3Ybug5VY2hkZiN3gPujeYStU,18350
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  biotite/sequence/annotation.py,sha256=fuhMCjQ_MBkVyTyx4nU_VaGRgVr-u448KZ2G8Q_CVgY,30615
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- biotite/sequence/codec.c,sha256=IkMFhc1_7z_oLkM8sCUsWaQbPRftOGMJdu7H4YrIwUA,1528750
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- biotite/sequence/codec.cp310-win_amd64.pyd,sha256=wgB0Kc9Olzapd9pLrDJMNGC0J3O59WMAqulrfCCuReY,240128
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+ biotite/sequence/codec.c,sha256=TX2bbUqLt28sgh1oQquA0acXGgeFkz4f-VQvWKD1S2I,1529118
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+ biotite/sequence/codec.cp310-win_amd64.pyd,sha256=h7oARp3vwwrixgUI8aa0RVVMMtLTn5J81j6AtSwouzA,240640
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+ biotite/sequence/align/banded.c,sha256=ffyObiHOIyLgDs14EcMGiyBW8wAdkOu45-WWAHqGHms,2578665
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+ biotite/sequence/align/banded.cp310-win_amd64.pyd,sha256=Abe1tcBXdCq-Nph7mKqyeUZXnGlS9qjA9ABp_hJg_4I,489472
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- biotite/sequence/align/kmeralphabet.c,sha256=yvdcwC6Wkl-_teXAqccdgP0DdKqsa1PqEQhNIMjDlio,1912736
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- biotite/sequence/align/kmersimilarity.c,sha256=PWhyJyZUllN50bUZBxmEA8rVdSovWpoqMyXNAiAIXpI,1252551
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- biotite/sequence/align/kmersimilarity.cp310-win_amd64.pyd,sha256=OyMA0i_r-gxMuMOwWqke4S5nXeHuCHLOeCQN5XQnGvQ,172032
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- biotite/sequence/align/kmertable.cp310-win_amd64.pyd,sha256=FzfETSttWcEXjb070XM7PmAW6srHv-8P-h7GtDt5uzc,597504
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- biotite/sequence/align/kmertable.cpp,sha256=1ghBLD6H5GCNbw9mlo6M1CI8DxDRCRlyoLU_qp2vRb8,3030047
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- biotite/sequence/align/localgapped.c,sha256=w8zCpCmlUYoecOxyG7ImtmUbdaTHMuWRKdNjFYzo81M,4599176
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+ biotite/sequence/align/kmeralphabet.c,sha256=F7ZQtWEjwBkzZ99bveM3066zHpYXberihRrzJnCvD3Y,1912880
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+ biotite/sequence/align/kmeralphabet.cp310-win_amd64.pyd,sha256=iZNk-EhkMhhaSHhnhS3KDeJEBum64qdLz4dR_S4FbBI,307712
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+ biotite/sequence/align/kmersimilarity.c,sha256=kaGmq6Ld6EEfXaiDoTfVwGlu1un0yyKopO8yPibht3E,1252717
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+ biotite/sequence/align/kmersimilarity.cp310-win_amd64.pyd,sha256=bJirV4rjiYDx_NHUCzkIZgzWdcR48f9hnaxfdhI9Efg,172032
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+ biotite/sequence/align/kmertable.cp310-win_amd64.pyd,sha256=X2qzSiBZuIJoMi8xurK_t00Vxw3AeCoEkO5ltUPga2c,597504
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+ biotite/sequence/align/kmertable.cpp,sha256=WnI_WouD5DBJLnW7sTRe-8Xjn-kreHwezTTTKeDlc14,3030299
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+ biotite/sequence/align/localgapped.c,sha256=7QozhJ-n9UN1MBdg5TFYKSnjIYAgPCijPJVvbGKNnrY,4599727
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+ biotite/sequence/align/localgapped.cp310-win_amd64.pyd,sha256=bjTkW3CJYuSH6aDm6lFQLXXFiK7yRL23KO6YGDDEA2w,987648
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+ biotite/sequence/align/localungapped.c,sha256=cX8gvph5tLdgeSGphNAnCotFS7GenEPbd5oci30kY5U,1605971
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- biotite/sequence/align/pairwise.c,sha256=zYqgVS0s_Gttbouh-QQkxl2fAbbYAv88ZVDx3LXE2dc,2882054
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+ biotite/sequence/align/multiple.c,sha256=HD1i2LD91HYXZGNY6Z5bGqoxikDfaFp8nOfSYDoBXTc,2275188
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+ biotite/sequence/align/selector.c,sha256=7LtjdMFy7kNF_mo6VcmuvO8_A56yJc1Nn-pED99bk8E,1632745
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+ biotite/sequence/align/selector.cp310-win_amd64.pyd,sha256=W5d5qji_h_CARGDxtLyziwKL85MZS4y6cfjvFhqZR3w,253440
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- biotite/sequence/align/tracetable.c,sha256=tjVLlQKWF5J5HDFXM20Dgx7pToOJbXfqrJETuxbMkso,1218822
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+ biotite/sequence/align/tracetable.c,sha256=CeMU6xA65JBk-5otFkYa9TRZqq8ohU-S4WLXdBUQwDI,1219044
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+ biotite/sequence/phylo/upgma.c,sha256=Ach-AS5uitfgu8MqHJr4N8yg1fhZxqbrFwAfliduqUc,1168702
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+ biotite/structure/info/standardize.py,sha256=nghv0HozXDVx4lMCcCEUue460kM2EH5_KWgVEt0atBI,7967
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+ biotite/structure/info/ccd/README.rst,sha256=GeRC_rNZkw9mmGBjSwiy6pgyzzYZEPh0IX5pMIjCruQ,349
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+ biotite/structure/info/ccd/amino_acids.txt,sha256=1buxKHxk68vLmgEdO1V30MEdU93VPeprYSzZyzLJt5E,8237
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  biotite/structure/io/pdbqt/__init__.py,sha256=_e0Cyo-9kxX__O47RJwLJrylIWfAOiqqX-eVZ6w5RpQ,454
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  biotite/structure/io/pdbqt/convert.py,sha256=8DEo4oOhp5MXqXXr3EWHnKD4y4zI6kqZ-Fjv19g6IjI,4133
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  biotite/structure/io/tng/file.py,sha256=MW861kpo8fRqd3GFHFuV0LALkP6Q8nPhQkuj-uz1gU0,1348
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  biotite/structure/io/trr/file.py,sha256=4rS9HNoXQXCauquOTbkUWeveq9LEy0CKBNgi_IMTL-s,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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@@ -1,5 +1,5 @@
1
1
  Wheel-Version: 1.0
2
- Generator: bdist_wheel (0.42.0)
2
+ Generator: bdist_wheel (0.43.0)
3
3
  Root-Is-Purelib: false
4
4
  Tag: cp310-cp310-win_amd64
5
5