biotite 1.0.1__cp312-cp312-macosx_11_0_arm64.whl → 1.1.0__cp312-cp312-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.

Potentially problematic release.


This version of biotite might be problematic. Click here for more details.

Files changed (90) hide show
  1. biotite/application/dssp/app.py +13 -3
  2. biotite/application/localapp.py +34 -0
  3. biotite/application/muscle/app3.py +2 -15
  4. biotite/application/muscle/app5.py +2 -2
  5. biotite/application/util.py +1 -1
  6. biotite/application/viennarna/rnaplot.py +6 -2
  7. biotite/database/rcsb/query.py +6 -6
  8. biotite/database/uniprot/check.py +20 -15
  9. biotite/database/uniprot/download.py +1 -1
  10. biotite/database/uniprot/query.py +1 -1
  11. biotite/sequence/align/alignment.py +16 -3
  12. biotite/sequence/align/banded.cpython-312-darwin.so +0 -0
  13. biotite/sequence/align/banded.pyx +5 -5
  14. biotite/sequence/align/kmeralphabet.cpython-312-darwin.so +0 -0
  15. biotite/sequence/align/kmeralphabet.pyx +17 -0
  16. biotite/sequence/align/kmersimilarity.cpython-312-darwin.so +0 -0
  17. biotite/sequence/align/kmertable.cpython-312-darwin.so +0 -0
  18. biotite/sequence/align/kmertable.pyx +52 -42
  19. biotite/sequence/align/localgapped.cpython-312-darwin.so +0 -0
  20. biotite/sequence/align/localungapped.cpython-312-darwin.so +0 -0
  21. biotite/sequence/align/matrix.py +273 -55
  22. biotite/sequence/align/matrix_data/3Di.mat +24 -0
  23. biotite/sequence/align/matrix_data/PB.license +21 -0
  24. biotite/sequence/align/matrix_data/PB.mat +18 -0
  25. biotite/sequence/align/multiple.cpython-312-darwin.so +0 -0
  26. biotite/sequence/align/pairwise.cpython-312-darwin.so +0 -0
  27. biotite/sequence/align/permutation.cpython-312-darwin.so +0 -0
  28. biotite/sequence/align/selector.cpython-312-darwin.so +0 -0
  29. biotite/sequence/align/tracetable.cpython-312-darwin.so +0 -0
  30. biotite/sequence/alphabet.py +3 -0
  31. biotite/sequence/codec.cpython-312-darwin.so +0 -0
  32. biotite/sequence/graphics/color_schemes/3di_flower.json +48 -0
  33. biotite/sequence/graphics/color_schemes/pb_flower.json +2 -1
  34. biotite/sequence/graphics/colorschemes.py +44 -11
  35. biotite/sequence/phylo/nj.cpython-312-darwin.so +0 -0
  36. biotite/sequence/phylo/tree.cpython-312-darwin.so +0 -0
  37. biotite/sequence/phylo/upgma.cpython-312-darwin.so +0 -0
  38. biotite/sequence/profile.py +86 -4
  39. biotite/sequence/seqtypes.py +124 -3
  40. biotite/setup_ccd.py +197 -0
  41. biotite/structure/__init__.py +4 -3
  42. biotite/structure/alphabet/__init__.py +25 -0
  43. biotite/structure/alphabet/encoder.py +332 -0
  44. biotite/structure/alphabet/encoder_weights_3di.kerasify +0 -0
  45. biotite/structure/alphabet/i3d.py +110 -0
  46. biotite/structure/alphabet/layers.py +86 -0
  47. biotite/structure/alphabet/pb.license +21 -0
  48. biotite/structure/alphabet/pb.py +171 -0
  49. biotite/structure/alphabet/unkerasify.py +122 -0
  50. biotite/structure/atoms.py +129 -40
  51. biotite/structure/bonds.cpython-312-darwin.so +0 -0
  52. biotite/structure/bonds.pyx +72 -21
  53. biotite/structure/celllist.cpython-312-darwin.so +0 -0
  54. biotite/structure/charges.cpython-312-darwin.so +0 -0
  55. biotite/structure/geometry.py +60 -113
  56. biotite/structure/info/__init__.py +1 -0
  57. biotite/structure/info/atoms.py +13 -13
  58. biotite/structure/info/bonds.py +12 -6
  59. biotite/structure/info/ccd.py +125 -32
  60. biotite/structure/info/{ccd/components.bcif → components.bcif} +0 -0
  61. biotite/structure/info/groups.py +63 -17
  62. biotite/structure/info/masses.py +9 -6
  63. biotite/structure/info/misc.py +15 -21
  64. biotite/structure/info/standardize.py +3 -2
  65. biotite/structure/io/mol/sdf.py +41 -40
  66. biotite/structure/io/pdb/convert.py +2 -0
  67. biotite/structure/io/pdb/file.py +74 -3
  68. biotite/structure/io/pdb/hybrid36.cpython-312-darwin.so +0 -0
  69. biotite/structure/io/pdbqt/file.py +32 -32
  70. biotite/structure/io/pdbx/__init__.py +1 -0
  71. biotite/structure/io/pdbx/bcif.py +32 -8
  72. biotite/structure/io/pdbx/cif.py +72 -59
  73. biotite/structure/io/pdbx/component.py +9 -4
  74. biotite/structure/io/pdbx/compress.py +321 -0
  75. biotite/structure/io/pdbx/convert.py +194 -48
  76. biotite/structure/io/pdbx/encoding.cpython-312-darwin.so +0 -0
  77. biotite/structure/io/pdbx/encoding.pyx +98 -17
  78. biotite/structure/molecules.py +141 -141
  79. biotite/structure/sasa.cpython-312-darwin.so +0 -0
  80. biotite/structure/segments.py +1 -2
  81. biotite/structure/util.py +73 -1
  82. biotite/version.py +2 -2
  83. {biotite-1.0.1.dist-info → biotite-1.1.0.dist-info}/METADATA +3 -1
  84. {biotite-1.0.1.dist-info → biotite-1.1.0.dist-info}/RECORD +86 -76
  85. biotite/structure/info/ccd/README.rst +0 -8
  86. biotite/structure/info/ccd/amino_acids.txt +0 -1663
  87. biotite/structure/info/ccd/carbohydrates.txt +0 -1135
  88. biotite/structure/info/ccd/nucleotides.txt +0 -798
  89. {biotite-1.0.1.dist-info → biotite-1.1.0.dist-info}/WHEEL +0 -0
  90. {biotite-1.0.1.dist-info → biotite-1.1.0.dist-info}/licenses/LICENSE.rst +0 -0
@@ -1,8 +1,13 @@
1
- biotite/version.py,sha256=IIj5MPQqf7H30zvHF3gsfSLSw1SsdlKYR9SngW-9GC8,411
1
+ biotite-1.1.0.dist-info/RECORD,,
2
+ biotite-1.1.0.dist-info/WHEEL,sha256=RuH0OSSkE2iFFCiqpmSxZqGj3WHRpMHdUp0bulkW7xo,105
3
+ biotite-1.1.0.dist-info/METADATA,sha256=AWoJEvD_xouBG2_P5lKh-FPZOZQ9C12cRsO8GsBMBfE,7224
4
+ biotite-1.1.0.dist-info/licenses/LICENSE.rst,sha256=ZuNQuB65Dxf0rDB_5LxvA4SVQJBWxRZyvbjbvE-APWY,1534
5
+ biotite/version.py,sha256=CqDGE4B1ZqZ-56mxeOFcXRTmlxrdOh4ayrjbcPjziE4,411
2
6
  biotite/copyable.py,sha256=C7ycTQxqanxT0SmXhzy5OLp7NpZdNWHyokozdoVDGNA,1897
3
7
  biotite/__init__.py,sha256=rL8ZyaCUjOrECEvRxyHj8MOMp4FHMJ8n6KKgrYf5OAQ,545
4
8
  biotite/visualize.py,sha256=EYUBKgeNrkPI53f7L4T893NMmLWgBp07aO2XFcdpYTU,10012
5
9
  biotite/file.py,sha256=TQLcN1FzEbEEOLdR0RUfHr9WPIkmULifHG_LoEWZV3w,6524
10
+ biotite/setup_ccd.py,sha256=sWHyRm78imJybCzPu_W-gKR_itxrVwEEGJxMq6YlzIE,6051
6
11
  biotite/database/error.py,sha256=3xyutl2nPzgBZqe5fpejOp6AQXAvtxO2hy_oWRrlcKI,410
7
12
  biotite/database/__init__.py,sha256=C_7zQxecZAB_x-4F_3JtU86TnB2GuxQju2mwfnLLy1M,725
8
13
  biotite/database/entrez/check.py,sha256=5ITmnDoV6-lmfxux-HpXCUjcnI0dyYBwr-mqGkIb5e0,1853
@@ -11,30 +16,30 @@ biotite/database/entrez/key.py,sha256=JS9GxvUMSYYmb2wU5uQduKUjITXRfY62aFyUH7_OMT
11
16
  biotite/database/entrez/download.py,sha256=RsB1xgcVSY_fjM1v2CMGwjImWG5e5qFg4_pttdgBxq4,7376
12
17
  biotite/database/entrez/__init__.py,sha256=-hAxLc_DdszhiCj6OO_jgSY-xmD05rC4urdUNHusr4s,388
13
18
  biotite/database/entrez/dbnames.py,sha256=57WUYPlTtPRne74fypNgFnE0cl91_WSRwzkoQsGjR6Q,2620
14
- biotite/database/uniprot/check.py,sha256=7ShClNBBHZkKw09Cewl4drr4C0we7oFGJGHBbgINt50,1292
15
- biotite/database/uniprot/query.py,sha256=dXjrBTeqpfrVOSoHVN4vdbZYR4ZtNvZTf0v_WfVwi4k,7563
16
- biotite/database/uniprot/download.py,sha256=MZan2nFyYWSWgFL-VU3MOJOwp6g9h25_65zFfBr-Kww,4320
19
+ biotite/database/uniprot/check.py,sha256=TJeIGnPGVOEXrvn4V4EIJs0NEXnvWDfXDAgZzSs2evY,1373
20
+ biotite/database/uniprot/query.py,sha256=XZHNAARmrJP2zDVrdL3kmRl-LK_rTPweIGseBogCcqU,7551
21
+ biotite/database/uniprot/download.py,sha256=HmWrYpNzpSvGGZP26xk0nzAv4fwzhA8mDZ4moexWgc4,4308
17
22
  biotite/database/uniprot/__init__.py,sha256=Lsk5Jd-qb5167VTgN48lWSSbqpjCM-fD0XKJyxaZb7o,334
18
23
  biotite/database/pubchem/error.py,sha256=_-SE2w-Jx5HqL8ll5deiaXAKAeEPC0ysSG6F3Mm8AGA,713
19
24
  biotite/database/pubchem/query.py,sha256=czvfK8KttZQviw65NsdYFqt-IECW77cN6TrocU7d8oA,26448
20
25
  biotite/database/pubchem/download.py,sha256=5Se2dU0jB0MPrfCfwuwDDUgO_k7BkRqegDl9c_76IGw,9867
21
26
  biotite/database/pubchem/__init__.py,sha256=xjwfutIL4-JeTs7v4wCkRyy5q4KE7fGWDvo46ubkXt4,669
22
27
  biotite/database/pubchem/throttle.py,sha256=HXf2l7EW5RLdW0bg72uSdXCDZXFXOE49akhfgKhEdc8,3286
23
- biotite/database/rcsb/query.py,sha256=ztyNlUs72vwjdG3Ci1Mj6UTJb9yupcRray8pYogPbw8,32902
28
+ biotite/database/rcsb/query.py,sha256=DAXZJbI8lUey80MuA1QNetqv3MgqaAaY3jM9MhrjrTg,32919
24
29
  biotite/database/rcsb/download.py,sha256=8q0yA5LL9avzWpy1I6s-59VRHg3mhuJltIldEN5CmU0,5622
25
30
  biotite/database/rcsb/__init__.py,sha256=sTJnL4vYwhO7gSszMuT_Lr91uwX0wM1h-fZWiZkITYA,332
26
- biotite/application/util.py,sha256=zDxqVUWcINdTgnLMdC004GXygIUeYWSemwEALk8xrGo,2095
27
- biotite/application/localapp.py,sha256=uvktgVp67gAyus4LR6dXjEc23y8M5n_K5e-ncWzwx-c,9286
31
+ biotite/application/util.py,sha256=8iReyUmCizsbhkUv1t5QKx5tH9M101ebKy4EnviP2v4,2111
32
+ biotite/application/localapp.py,sha256=JeiqQxP9JgV_kCaYXi14I_cfsxZZDEieymNaN_5sKqw,10270
28
33
  biotite/application/webapp.py,sha256=ysKcsdAPlOZVMq3aCHVD8VdGyrrFjEDklMre6aytSTs,2161
29
34
  biotite/application/__init__.py,sha256=gOy5iGp5uuKTd0qpR9LgsmanB3ZfdQaTnZcKMRDwSx8,3079
30
35
  biotite/application/application.py,sha256=KbrqhjBLtkjEix0puJ9VpLQoc3vs4hQZ1kW5O1c55vw,8098
31
36
  biotite/application/msaapp.py,sha256=hDoyPyDjJVt0qQSZLlR7DLSA0uJ3qTmAke-dP725_ik,11976
32
37
  biotite/application/dssp/__init__.py,sha256=lUf-A2rJzPLJYZQZGpZUt7HtA0M59KaX6zQSCrkhfF4,323
33
- biotite/application/dssp/app.py,sha256=zhuHcUihTz9b9iOcYJ8ROAPYu-_0gW61d5fEXle2fHI,4840
38
+ biotite/application/dssp/app.py,sha256=tHoG8uFmX8WaBHm0Fhjc7D0NXEaMa-zkLvwFzyP4FQk,5323
34
39
  biotite/application/viennarna/rnaalifold.py,sha256=DmsHVi18izXS0ee6FN6MfgrCEScw9v9qSvkGOjHs8IU,10608
35
40
  biotite/application/viennarna/util.py,sha256=4jvZRRBSxPHzT9HJ9jooUzarUg5JTzDMoQASuBvTSqI,2634
36
41
  biotite/application/viennarna/__init__.py,sha256=m2obwXBnkDzRDzjrffsGdnp7YxAFz6CctsSmmg03xVI,473
37
- biotite/application/viennarna/rnaplot.py,sha256=IPZ-AOMwblQHoF1Y6xBtN84RqWfDMkMpn8Kiws-7w4E,6327
42
+ biotite/application/viennarna/rnaplot.py,sha256=Z8TdKvd3mYAdUOdPLdsY10aeHVDsoXKJxsiChWkfjy8,6416
38
43
  biotite/application/viennarna/rnafold.py,sha256=Tr6VfGLkzNhcGujND_k5XUb9uYAMsysnDWQ6oTcIamE,7910
39
44
  biotite/application/sra/__init__.py,sha256=8I-uPkWUiu_ePPp56mI8MkwIOnjjQODpH0YMeOh8Leg,553
40
45
  biotite/application/sra/app.py,sha256=llsaWNJJaZpvTL1AOl4xWOdsv84AmQaT5LRnWqGii4Q,15864
@@ -49,20 +54,20 @@ biotite/application/mafft/__init__.py,sha256=VQPqkbQPAvGePLTb-Kgd1exMxDT5onbab34
49
54
  biotite/application/mafft/app.py,sha256=gzcJZdUs5Qys0aK1uAcsMNrBB4sIjbju4Sc1hJ3JPh4,3281
50
55
  biotite/application/clustalo/__init__.py,sha256=nHtEaPTQU3oXfZZhe9TyA55NzFknFyAkALLuEn-C6ys,326
51
56
  biotite/application/clustalo/app.py,sha256=JdICuA14SHdiuYPt6Y1cc1d6zHTNZaXzoPk_y0Nb5H0,7417
52
- biotite/application/muscle/app3.py,sha256=-T6AmkGlBE0EAxp3ZG--tvcxUVBTkBdr7W5qzUrDTXE,8085
57
+ biotite/application/muscle/app3.py,sha256=C-W7MOHjwfb4ioKtVeVSAOD9sbO58bCdG8rRhy_vxzU,7613
53
58
  biotite/application/muscle/__init__.py,sha256=B1JrhQYjgwSKWxpcYgXS91f2GM5Tc1i9Ocs2wElslRs,338
54
- biotite/application/muscle/app5.py,sha256=cjK26uAcL3dblyxa8WzfJE8FXzo3FZ0p5jn8ttu8YNc,4426
59
+ biotite/application/muscle/app5.py,sha256=9h7kszwf0cr_z9xaWsMi2UKxYMK8Fwo_5sGyGTvmoN8,4435
55
60
  biotite/sequence/annotation.py,sha256=b0A1_NciOz2g3PEG0AgIcNC5XXmHap2PScbIpyKO0v8,29513
56
61
  biotite/sequence/codec.pyx,sha256=ed415FTMBJfiI9WbgKRFO3tF1f_SpRHxyEafLxW-g1k,4962
57
62
  biotite/sequence/sequence.py,sha256=6k2WVEd4JX4pnTQ-nbtrhvLBCVEaTpsETfsiCBD5Cfk,11693
58
- biotite/sequence/profile.py,sha256=VtRfHP3f4Ymw7tgV5wPvde22nH1KwOkkKXToHLkbl5Q,17126
63
+ biotite/sequence/profile.py,sha256=ZiCilbHx43SYvm9bDkoHDu5_-V3T5xllRZw26pTmZ-E,19375
59
64
  biotite/sequence/codon_tables.txt,sha256=zZLT642H4qEkwUk5g-hWh-6ZWP_bgaz70fWcxwJDWJ0,10209
60
65
  biotite/sequence/__init__.py,sha256=fSWhobaPGRMJI6-8UYFpjguxVtP4O4cAHmiRxNAGzYI,3423
61
- biotite/sequence/seqtypes.py,sha256=zdj3fFkb_EDB0T4rqQuq-ErtX6TcFiP8kZ0tWINibnI,19346
66
+ biotite/sequence/seqtypes.py,sha256=OvOOhWzoRCXpgXM2is6T06RV9etxLeFoLErokWuc60c,23093
62
67
  biotite/sequence/codon.py,sha256=6SBjwz4c6IZiAFZL03qjcrjT84zczltc14haOOAkm6Q,16392
63
68
  biotite/sequence/search.py,sha256=dF-OtPocZ5XAIgS4GCMt2YOKz0Oxb9b8FvPmVUY8j-k,3089
64
- biotite/sequence/codec.cpython-312-darwin.so,sha256=jdZ3JeqiU1IpFXpF8CGbXZq4LLAZ_BiyOAjObzpk8ug,284488
65
- biotite/sequence/alphabet.py,sha256=OiUxnsbTaxuDjAiB96sVHYTOqG3XvwF5ceJ3tvViqh4,17190
69
+ biotite/sequence/codec.cpython-312-darwin.so,sha256=sG87Qj7g0XAXbJBFW95rTxVSrjOzxuXcLzpCenvQVg4,284488
70
+ biotite/sequence/alphabet.py,sha256=IqZnJZtUku9HPcRwx8ta7dRaK7knmoNW1quMcf-2ZAs,17245
66
71
  biotite/sequence/io/__init__.py,sha256=4K13uxFWe8IpNC8yuVxjDiI7-8lmXu7qT6iMmVSqPs4,314
67
72
  biotite/sequence/io/general.py,sha256=sD03pLnkxsT6vFh8806ZhErC8GEG3LF_70NMcVJyGe0,6694
68
73
  biotite/sequence/io/fasta/convert.py,sha256=m1uWLtCfdzI-to5WLxqiQrQKtWKBDyr14qE_54x0jLk,9421
@@ -79,36 +84,36 @@ biotite/sequence/io/genbank/file.py,sha256=UQDvUUqftl7g5mMHPVrhzNzZEai8fmKDXlTfB
79
84
  biotite/sequence/io/fastq/convert.py,sha256=x4rWn7WHdKxW1u7mwDgM8Z3qaML4lAO7r-JiMTQbvaI,3632
80
85
  biotite/sequence/io/fastq/__init__.py,sha256=lhw9bxWS0eKPXzF1lg8fvrNmgAmJPLBzIB6jEP5GOVI,588
81
86
  biotite/sequence/io/fastq/file.py,sha256=OwSUw-Unp8AQc7LdpJSI2zmavBWsCcqov23HPHWaXQU,17816
82
- biotite/sequence/align/matrix.py,sha256=6N0b6j1MOBrFMnSdX83sWZqGH0e5_dFfIVEhGglbSBI,12720
87
+ biotite/sequence/align/matrix.py,sha256=XQAdUhlA5suO9MkPhGeqXMcfxB-nD71Sybk1P_ySVP4,22103
83
88
  biotite/sequence/align/permutation.pyx,sha256=xbbw5DJ7c5SXnuSUl2hJUMxzvinKP1Khc7CSdH5cEE0,10028
84
89
  biotite/sequence/align/selector.pyx,sha256=13MYCmECOYFGoMQHgCRgKKeN74VOUSc0TnZuqRJhBo0,33471
85
- biotite/sequence/align/pairwise.cpython-312-darwin.so,sha256=RN87uh5phOMH-WWJZ1mf3IpQcZ8IseTUxed-wbaoYs0,564880
90
+ biotite/sequence/align/pairwise.cpython-312-darwin.so,sha256=mVB55ZxNsafMwoDW527QdYyOyHGp9LXqV_FxXhix8Co,564880
86
91
  biotite/sequence/align/primes.txt,sha256=7pKfLGN1vjYl_KJ3y5uuo8np_5DDUH52UAkhb3fJfWE,10140
87
- biotite/sequence/align/localgapped.cpython-312-darwin.so,sha256=jY8USq6iNW-w_qedtYOPIOKGA8DwwIAlWyp-mh4u2v8,1062304
88
- biotite/sequence/align/banded.cpython-312-darwin.so,sha256=YE728_hAVW6KFk_5wMnnA--LxcgEXRYGsbz5BW2H_yM,527760
89
- biotite/sequence/align/kmeralphabet.pyx,sha256=J8I33f6AT8vhCNeW7tuZERqbCCC7Z9baC0RCrF01_zk,18115
90
- biotite/sequence/align/localungapped.cpython-312-darwin.so,sha256=VL9Xlt53QQh-KHgQjDnSQM5vGol_6dWkANAlgUFo4Po,303984
91
- biotite/sequence/align/alignment.py,sha256=XxFE0tdH37oiWcxfcbPYt25d2S3MePan7RY6fl8noP0,21351
92
- biotite/sequence/align/permutation.cpython-312-darwin.so,sha256=5hj06vP7XZdp3zwN0UUt-i6-bLgOU0QYEtg3jTQlMUM,231024
93
- biotite/sequence/align/multiple.cpython-312-darwin.so,sha256=eGvyE0cvtLZe5dSfi01JlYaS5IqyrcmHVgHJ6WmQRFc,493952
92
+ biotite/sequence/align/localgapped.cpython-312-darwin.so,sha256=EIGU8d4TakOJdzXAoz8srP0bUmJww0QYlNv3a1eXMOU,1062304
93
+ biotite/sequence/align/banded.cpython-312-darwin.so,sha256=dLqF5vkW9GDz2WH4odOUTk-O6dUxi4oSUFOehrDswBA,527760
94
+ biotite/sequence/align/kmeralphabet.pyx,sha256=h21N8B1KwTHPYz0KzyM2pYuap4hDCQPfNSnqpuhJn7Q,18636
95
+ biotite/sequence/align/localungapped.cpython-312-darwin.so,sha256=HnHie_O0tOirBnoCTvN_QT26Y8Z-gwT3QBaFxaHj0bw,303984
96
+ biotite/sequence/align/alignment.py,sha256=Ccz-Dzo76PeNoBVLNymxf4YTgo0EelSyGTfRXkGrbdg,21693
97
+ biotite/sequence/align/permutation.cpython-312-darwin.so,sha256=XuWQQg8QuC6rfjh89X4PKsKUhILR87T6RjqtCIJdPTQ,231024
98
+ biotite/sequence/align/multiple.cpython-312-darwin.so,sha256=5Kk8GOxv6DYfD86g3iy-4utBufdaGk1EM5Qoq02iTKs,493952
94
99
  biotite/sequence/align/tracetable.pyx,sha256=1gsT3OV7VkE6i_UpNiYOLVvD2_tfJgbNZb1yv9F4XR8,15455
95
100
  biotite/sequence/align/pairwise.pyx,sha256=88bZUcDG3CflZPdUN_HMJaIMTKCAtBhmhq946tY__KE,22836
96
101
  biotite/sequence/align/__init__.py,sha256=Twwj35DdxgKu9pN84u2PEtwo6MekLENbkaGbAPxB2A4,4715
97
102
  biotite/sequence/align/localungapped.pyx,sha256=rj6gbuyLQIo6ZuPwVt01rs3fOSOjpzq6Vx3v6_zKdEQ,9696
98
103
  biotite/sequence/align/buckets.py,sha256=k8H5RBS5Y7DrMoIOd5Ifrxp-nYWosJuqOYgLd1y-DWs,2464
99
104
  biotite/sequence/align/localgapped.pyx,sha256=djdmgvACXde0dyqbKttc4itgu0MNh7aF0U9L6tHTZXM,33385
100
- biotite/sequence/align/kmersimilarity.cpython-312-darwin.so,sha256=7_3PwbUeKDCVy_rOgZRh7Io7F9XCLgZEwks9-EIOp68,229544
105
+ biotite/sequence/align/kmersimilarity.cpython-312-darwin.so,sha256=d4hd4jIKFUUSv-g1yIt_0n-dRU22H9A6AQN2-MWzQgg,229544
101
106
  biotite/sequence/align/cigar.py,sha256=HGHelQe2SH4SdKjcyTmVlvrlllFzDtpiysskFcclIW4,14285
102
107
  biotite/sequence/align/tracetable.pxd,sha256=_VP1ayP6FZL1Tzn1pCCbt6xPZDzFtE9bH0Gvop2lxyQ,2825
103
- biotite/sequence/align/kmertable.pyx,sha256=6f-ifIWbICKP_ZAItxPqgjQVBoyId5bT2g6-dIO0zS4,121334
104
- biotite/sequence/align/tracetable.cpython-312-darwin.so,sha256=P3JnKkr6PVSC_B3nH12Hkfoz0C094TpVEUAH4yK5-88,203344
108
+ biotite/sequence/align/kmertable.pyx,sha256=60fHpaQm21cTvvO6RepnzO43gouRyVEZ1nQu3oJHaAU,121697
109
+ biotite/sequence/align/tracetable.cpython-312-darwin.so,sha256=u9a47GnboFJLyZyH2ZsRh4DhMyqFvmZ6AtxImCIjEf0,203344
105
110
  biotite/sequence/align/multiple.pyx,sha256=cUnbuAfYBp_Kt4Y7LeuPeuBiRdyu1D694i1kQIsUqPM,21965
106
111
  biotite/sequence/align/statistics.py,sha256=98Vaz__s_8GltcMwfErNuKQfXuFKZCq-i1XWkJ_iAMQ,9655
107
- biotite/sequence/align/selector.cpython-312-darwin.so,sha256=jOsJetVytjr8jqO7YeCf172tv1YRW0Wuy1CIoflz7mE,323040
108
- biotite/sequence/align/banded.pyx,sha256=-5peQOsZHoe27GjZCWrlrVN6YxsCEQCn0HkpglxDsbU,25392
109
- biotite/sequence/align/kmeralphabet.cpython-312-darwin.so,sha256=arXwCCzESVDd6mGdJsAiB9NgkvW1n94xhKCojFI61JE,377760
112
+ biotite/sequence/align/selector.cpython-312-darwin.so,sha256=lIqMBA1UpBOdxN3yiQoChwnXh-LvsoNENukXYJf_aVo,323040
113
+ biotite/sequence/align/banded.pyx,sha256=IoC59rBadaLdO3LFMoU6mHu7MX4Ri-PkMcd-sFHn2Po,25393
114
+ biotite/sequence/align/kmeralphabet.cpython-312-darwin.so,sha256=mFYzdL6fUuAzah33ZGn-pMbNM_AOIDWYhE-Plfhd1ms,401824
110
115
  biotite/sequence/align/kmersimilarity.pyx,sha256=EBpz8R_fofRd4gsmBJLuH2qZgMWKlzQkCJ54w_-K7gQ,8433
111
- biotite/sequence/align/kmertable.cpython-312-darwin.so,sha256=SrclQEHW95nF-Ib3RDfEfOVr2YgIWQqTr1UXqObtV90,684192
116
+ biotite/sequence/align/kmertable.cpython-312-darwin.so,sha256=2K_YMknZCftIxz7afElCV0fyYp1TV43FYE3Z7GFEt6w,684048
112
117
  biotite/sequence/align/matrix_data/PAM370.mat,sha256=ZD8BpkVrVK22_oLSXZb9d_kzNDfic_i0eVT1fUNkyBk,2068
113
118
  biotite/sequence/align/matrix_data/PAM210.mat,sha256=UfUmaJ09ID11GUzuNeK7aUzgZTW1iJLizADnD0qT2BI,2067
114
119
  biotite/sequence/align/matrix_data/BLOSUM30.mat,sha256=j6FWyeTXvfpSR0ZGecI18MCATcjM_FTJ2XGoEjWg3Qg,2122
@@ -122,6 +127,7 @@ biotite/sequence/align/matrix_data/PAM410.mat,sha256=gtd1bfoNX8M8Ey4B266w7AyTVi0
122
127
  biotite/sequence/align/matrix_data/PAM50.mat,sha256=L3wZ938pS5_dWww1UAITFNql0NaDyIDk4NrCK9Yz9Ww,2666
123
128
  biotite/sequence/align/matrix_data/GONNET.mat,sha256=xNJHqcmqSFtO1fFCL7Q1rhr-MVsjPLi6yMmXJLQSUTU,1679
124
129
  biotite/sequence/align/matrix_data/PAM90.mat,sha256=e-zxoVFQHxDoHT2_83SgzRnY88tT7_q8lg6Ikk3ioXs,2666
130
+ biotite/sequence/align/matrix_data/3Di.mat,sha256=vOp0H-cCTJC3puTPYU63e2ymGVvVNEdhnqzV4jQPJWo,2021
125
131
  biotite/sequence/align/matrix_data/BLOSUM35.mat,sha256=wt6Gkbx6KPazNoRXfedE-yXjH6Par0PXiVpFprenJGU,2122
126
132
  biotite/sequence/align/matrix_data/BLOSUM62_5.0.mat,sha256=WvizmTK3QOPODABlz6_X8YT4KgvMZKy_0PkbOthDpjA,1850
127
133
  biotite/sequence/align/matrix_data/PAM200.mat,sha256=BUDVdPGRgVgxH552pwFA2WkO5QpM1gLLu6cgMiNhprs,2067
@@ -179,6 +185,8 @@ biotite/sequence/align/matrix_data/CorBLOSUM49_5.0.mat,sha256=GUiQ63AMTP91d5poXh
179
185
  biotite/sequence/align/matrix_data/PAM190.mat,sha256=h-CbsySNQqW2YCS67ptA5CktzqP6hRqvud6dXXYnvVg,2067
180
186
  biotite/sequence/align/matrix_data/DAYHOFF.mat,sha256=qYkUgQ37EYTawAjc52vbPNJOfC9LYo_vmuX-Arsa2mg,2081
181
187
  biotite/sequence/align/matrix_data/RBLOSUM64_5.0.mat,sha256=mPlyPQkz3RID3iT4XxYMDmyLfEya7sCV6t5BGdg665I,1850
188
+ biotite/sequence/align/matrix_data/PB.license,sha256=OkDCfXO06BfooLXYC3iF7LXXB_Uqqex1B2gjUEFdUZI,1091
189
+ biotite/sequence/align/matrix_data/PB.mat,sha256=1T1JxAckzd9oXRSXe09M6mYp-gjOhxeh0d8UMrt4dv4,1694
182
190
  biotite/sequence/align/matrix_data/PAM230.mat,sha256=kpdHawONOvHXHJgUnkPMFRikSyqjtU1Rucp_foRV6Jc,2068
183
191
  biotite/sequence/align/matrix_data/PAM350.mat,sha256=gGMAQ5oeI29qv2GkXcg4NBvueP0ylj1CBPj4J1W7Wkg,2669
184
192
  biotite/sequence/align/matrix_data/PAM150.mat,sha256=1Jbj7ITgahFFbjGbD3dS0WXrYL2HmSYj9_6ITsgNSWQ,2067
@@ -204,7 +212,7 @@ biotite/sequence/graphics/features.py,sha256=HzS434k_kKrd7hzCQlPeQH3_YQg3Y3fRx2k
204
212
  biotite/sequence/graphics/plasmid.py,sha256=_cP1pHLzWgS66UIhMSAuWD5JWP0SmBzWjPBJxHgR3Fc,26002
205
213
  biotite/sequence/graphics/dendrogram.py,sha256=11BkMkXQFCZY-OC2mTnhfiS53RLtH_Gz38tMYDAx-To,7592
206
214
  biotite/sequence/graphics/logo.py,sha256=6xhkspwu2Mbjo9aabw0gXgbcNqOdB9tw4IzPYMgzo0Y,3819
207
- biotite/sequence/graphics/colorschemes.py,sha256=nWibKN0L-NQkVCnj3Psx0SX6Zv1hpDZeb-NLTOZO3o0,4473
215
+ biotite/sequence/graphics/colorschemes.py,sha256=GvmyxoEyYFOFwK2zM_DXM8RPecEDGhalOVinR7BdQ_Q,5517
208
216
  biotite/sequence/graphics/color_schemes/jalview_hydrophobicity.json,sha256=FTwFLJ049NH4CFS0B5OaXtmySkE6yiluenixoNSaZSM,785
209
217
  biotite/sequence/graphics/color_schemes/rainbow_protein.json,sha256=C5imi4gVjtS0HVV6yQK3MOgNuOi1SPCnGDHiYqqbaU4,753
210
218
  biotite/sequence/graphics/color_schemes/wither.json,sha256=6dq-9koLqk6ec5WCLYzFRcnjmIYjjnLfnecZwMur3yw,842
@@ -218,44 +226,45 @@ biotite/sequence/graphics/color_schemes/jalview_taylor.json,sha256=q9GXPg8OaeE6S
218
226
  biotite/sequence/graphics/color_schemes/jalview_prop_helix.json,sha256=mZrFbuArC56OOtdxZ0m3hQs35RTR0sCATgbaq5DfsYM,780
219
227
  biotite/sequence/graphics/color_schemes/rainbow_dna.json,sha256=xG5qNN6Zov99pgEkna2jws7Vdp5cfYhKaUaPkyq9Nzw,248
220
228
  biotite/sequence/graphics/color_schemes/sunset.json,sha256=HnKftW6Mv52-fhqgIElQV0yW8cYMqtksPShG12zW7Is,842
221
- biotite/sequence/graphics/color_schemes/pb_flower.json,sha256=43xTI6C5J1YDdH3gnlUgfOTeZm9gCwhy6K-YC9pRgdc,663
229
+ biotite/sequence/graphics/color_schemes/pb_flower.json,sha256=nZRuvOdLmtSXZKNk2jZOuXV6utQAxa4oK7E36NqlYr8,676
222
230
  biotite/sequence/graphics/color_schemes/blossom.json,sha256=NneinRHISSkgrdCDtaxNCCaF6-9Ya_9PlKKKR6LweXc,843
223
231
  biotite/sequence/graphics/color_schemes/jalview_prop_strand.json,sha256=83GsLW_LOC4156kX4hVXUa4LUmoJm9FhOgyXrmXOR-E,781
224
232
  biotite/sequence/graphics/color_schemes/autumn.json,sha256=usp-Y70tk39LCJV64vi7t3wd0pcf7kOjEE8dZhAbryM,842
225
233
  biotite/sequence/graphics/color_schemes/jalview_zappo.json,sha256=V0IJ-GsT8G8-J9CILWaiY3QkB35wYEq2kbWEDqYjm-4,701
226
234
  biotite/sequence/graphics/color_schemes/clustalx_dna.json,sha256=xkNRgGj_ersYNx8eSDAnI1HQalGiAWHw97tO_pmfyNE,249
227
- biotite/sequence/phylo/tree.cpython-312-darwin.so,sha256=zjkxJBeDkPkZojgLZ46VoBpb-mll08bkAOc4BgsBFPA,282216
228
- biotite/sequence/phylo/upgma.cpython-312-darwin.so,sha256=MC1GJ6RTkN9khIz3jnDCv2YFuJDliuxRkyke7psMfbY,209224
235
+ biotite/sequence/graphics/color_schemes/3di_flower.json,sha256=wuo5hCVuc_wR9a5AviU9BXRQC8XUb90VqJCsKcpq8pc,917
236
+ biotite/sequence/phylo/tree.cpython-312-darwin.so,sha256=U7VPm6TkUNY9_I4Dd-Lc1FGKFAp2e__28a6M-i4Q7o4,282216
237
+ biotite/sequence/phylo/upgma.cpython-312-darwin.so,sha256=RwnV2iOkQ9U4a3ALhG56PlWRuat98d2RML6ozJVists,209224
229
238
  biotite/sequence/phylo/nj.pyx,sha256=s6hoo_7s3VFy-7Hgq9lKtUVXTZ-To8Dxwytk-ohfWYI,7281
230
239
  biotite/sequence/phylo/__init__.py,sha256=TW1CQqOa3JZYqidRy5XE8gA0HuzA8zo2Iouit3wSsBM,1261
231
240
  biotite/sequence/phylo/upgma.pyx,sha256=86QxGjj8fcGRhze7vZfqw8JLjLAZUevhkWDmzTy357E,5213
232
241
  biotite/sequence/phylo/tree.pyx,sha256=4e4Bhlm1qWY0Wvj6JqDE9jVwP6lEUmE8lIHEUmRNLwU,39206
233
- biotite/sequence/phylo/nj.cpython-312-darwin.so,sha256=Ysfv8iyBvITI3l-fD9uHStlFMN3Umn5hyDm-E5J3260,227336
242
+ biotite/sequence/phylo/nj.cpython-312-darwin.so,sha256=ynqdQAVHoL5IHhy9zu6hhJyEVByhWo_ZOUcPqXnrxyY,227336
234
243
  biotite/structure/repair.py,sha256=-1orK6q9tRNy36GWuS8_r4_goaGiaVtJy0I1VPCao2Q,6996
235
244
  biotite/structure/superimpose.py,sha256=MvPsab-ZRdeig_SoJH3XrrOY0VteTNCnLEKNSsar0_Y,25124
236
245
  biotite/structure/chains.py,sha256=I_A8JslWdBxi8cagoSGCfHddvHJ2WBSSe_WfovCwHxM,8827
237
246
  biotite/structure/box.py,sha256=6iGaGbxnsoIRt_mq727yLqU1txz7PRpA2H458Xk00Uk,18598
238
- biotite/structure/charges.cpython-312-darwin.so,sha256=0mHpWPmt_GuuOSokakZ9o_Bmr8GCozoQqklcA7HfCl8,281440
247
+ biotite/structure/charges.cpython-312-darwin.so,sha256=ZZwLHRej7-KY7bj0N1BtfYG8-R62_WK_46SOS8PGY_Y,281440
239
248
  biotite/structure/error.py,sha256=NI8oZfhO7oYWlcEIi025QZFD3Wjvwn6SvOn_RanrFT0,783
240
- biotite/structure/util.py,sha256=z-yxfc60EMJMPyEpTZ8cdl0LTb2zURrJm6xDYZUprF0,2200
241
- biotite/structure/segments.py,sha256=_yotEX4cr9WbxHdezLmoak5M3306PZZmPAxcO-tqSHU,5546
249
+ biotite/structure/util.py,sha256=ywK8N5Po74uwTim2KuXOFIh5ivV0_pCc1W1oiZT_9sA,4956
250
+ biotite/structure/segments.py,sha256=yXfzEd5X5OisJoC7m3_a0Qw4WmQErzrLlazByeATIus,5506
242
251
  biotite/structure/sequence.py,sha256=HLUaO32S_iDw2Ot1XEqQ7UtGDrxjCg30cCpzBqKpVPY,4246
243
252
  biotite/structure/sasa.pyx,sha256=fEUWuLtqjEmviPuL57lLuLdopndW-b7xtzvCr0vfQtk,12984
244
- biotite/structure/bonds.cpython-312-darwin.so,sha256=IIfok5HcKz7BcAPh9z6NfPaidaF-_OCJ3p7HoKXKC_s,560152
245
- biotite/structure/__init__.py,sha256=r2CR-UtCLVqbAygpKCri0pXD1FCe2M9wZSOi1Szp700,5324
253
+ biotite/structure/bonds.cpython-312-darwin.so,sha256=5wJeNc6m3Oep58RLNXBz7Nk9nNDkV3ik6UZSumQylhs,560840
254
+ biotite/structure/__init__.py,sha256=VSJMdPML_2MJPcSnmfRCyAcIpFlJRN8MLrHpj7RqQQ4,5449
246
255
  biotite/structure/mechanics.py,sha256=1qzDJZ1U1T_KsxwKioYjtMTy9cGYRirtxKD5AcsaJ3E,2588
247
256
  biotite/structure/sse.py,sha256=MUdyNSaDvxGi_gaY9bQjUSVNm-W8B1oinJ-UFV7slwk,11406
248
257
  biotite/structure/charges.pyx,sha256=RpCz4sVOiwmZeVTcMAapiWJFVBPAK0gAAiNoNZuxZWA,18822
249
258
  biotite/structure/density.py,sha256=BosyeB-0RGrANMpnq78A8cx_fYAOFnkcAJYxP8LKtZ0,4196
250
259
  biotite/structure/rdf.py,sha256=Yf9PoWqSpNK3QsWqnCnOUBGL8WwKGOakgZ0pxj5UOiA,8104
251
- biotite/structure/celllist.cpython-312-darwin.so,sha256=c-ySFyJbyB5eA1zJjv1NrK5O24U5w3bBq1chaXgLOLs,302960
260
+ biotite/structure/celllist.cpython-312-darwin.so,sha256=YdfSF9xcQUKaXdJ9Y5qvIGMNS-sAHrFTaqhrVdIDJzY,302960
252
261
  biotite/structure/transform.py,sha256=uz0t7-uv3QxJEd7oe8tpcnQPt5YfoFT6CLoruxEmvpA,19649
253
- biotite/structure/geometry.py,sha256=nYFJxpZvtujFK-9ERBRxAl1yQSikezGVz6ZAKjoa96U,25058
254
- biotite/structure/molecules.py,sha256=gkOSUTkIf1csP_6vDuxBhfJjIJWx-9xf_dW6dO7vFPY,15504
262
+ biotite/structure/geometry.py,sha256=U7xtFwM6OTB0sjgyN3jhxPTXQn6_NmwW6ueNsdc6Zn4,23423
263
+ biotite/structure/molecules.py,sha256=dQ1Ad7_rX8HRpEHfIhfLWq1-ydalpjwPEPHrEtDPBy4,15504
255
264
  biotite/structure/filter.py,sha256=X2Mj5_Z0_lk1LxuJudlztxuu7VkVF_ObtV_FCrXyHhg,17967
256
- biotite/structure/bonds.pyx,sha256=XYd9QtCtyqEZKGXkSQyt74oku9NVNufPmaC35BFLZX0,67996
257
- biotite/structure/atoms.py,sha256=y_dSNDNpn0RGNOphCQ4LRNvm0Pe9sBuqb7vtde4TOMs,47411
258
- biotite/structure/sasa.cpython-312-darwin.so,sha256=Kb5UF1_wLpjg2uTauoG5Xji9cwonRKjWOnp8rxFZAwc,264008
265
+ biotite/structure/bonds.pyx,sha256=ILmU-8m_3yj_ZBMhMvS4Z5hl7hbugyDnzP20lnH6-sk,69546
266
+ biotite/structure/atoms.py,sha256=ZcCvMUjBVGjdJuwqMrXXTjgZYQozWPRUPXvqnJyofao,50458
267
+ biotite/structure/sasa.cpython-312-darwin.so,sha256=XfQ5AsLhN_sMNsl_8m4b83ND3xDKgTCB1O-KsGTvuV0,264008
259
268
  biotite/structure/pseudoknots.py,sha256=hHxS4IOekR8ZqYFJvuXMexM1e1kaWmdqX18zfxAL4W0,22224
260
269
  biotite/structure/basepairs.py,sha256=2qxTgl6Q1zMjvZLa331hfQzbeMwrFzvSJYAfSETnwWo,49759
261
270
  biotite/structure/integrity.py,sha256=I2gcIgCoxWsC_adSsHYvbmvCz1aSeeXvIjt8uZWxYOM,6826
@@ -271,18 +280,19 @@ biotite/structure/io/dcd/__init__.py,sha256=tYiiTSmqDrsSgg_sZaoQgx2D8N9OeqlooxH4
271
280
  biotite/structure/io/dcd/file.py,sha256=jaU81fvGl4WG0zXB1dBKTOtSvFF3fS0kxeNR-wwpXlY,2224
272
281
  biotite/structure/io/trr/__init__.py,sha256=5WNHMGiHNNzYdoiybE6Cs0bYAcznS5D3ABu7gHDJ__A,359
273
282
  biotite/structure/io/trr/file.py,sha256=2LjaLoKYfNgyQGSEfQ1TdZQqaPyrBh3irbJdmEKFTMI,1235
274
- biotite/structure/io/pdbx/encoding.cpython-312-darwin.so,sha256=up0gP-CtfM44ZRagEVXi-IcmJGTJ2SRFXQcL_GyAacM,1055392
275
- biotite/structure/io/pdbx/bcif.py,sha256=FD9F_K14wDLApgaHtJ8Ove6Gogpk_8MB4MbuvMJ0SlY,19820
276
- biotite/structure/io/pdbx/convert.py,sha256=Ih1BEJNUes-NzvNhSyi8bWOZn4vNWyT_BVvkUclRGqY,60208
277
- biotite/structure/io/pdbx/encoding.pyx,sha256=KMfSe853yRKRCKzBNOl-JWtep7_i7Z0rzFFu6Tct0vE,28725
278
- biotite/structure/io/pdbx/__init__.py,sha256=t8TqRYZdoHW_Jt68ZfXCZ0jmchLOuQbtYWRYwCocnEc,693
279
- biotite/structure/io/pdbx/cif.py,sha256=Lg9BjYiKLni76J3gqeKiwWgqA7tSVxXuja8kUiK0A8g,34455
280
- biotite/structure/io/pdbx/component.py,sha256=1ILksDKeb2TdRy3hW1-mSpno_zZEqT0sdpGlq_eY4U0,8026
283
+ biotite/structure/io/pdbx/encoding.cpython-312-darwin.so,sha256=c1PxDJBFogzLozN7G4JChaDszVR0pzsI8MczikyPULE,1056128
284
+ biotite/structure/io/pdbx/bcif.py,sha256=TU8qz07kSxPK1GRzZK_t-wdkS5KlnvN7kmIwZdgag9E,20638
285
+ biotite/structure/io/pdbx/convert.py,sha256=HdgQpVRqE_q99IsjnAIbvL8PUE5dRt1PYscFmvBp6F8,65635
286
+ biotite/structure/io/pdbx/encoding.pyx,sha256=ySywnGIvlDER4tcQzFMEgWkQJN_sMzB__MHbRQ0-wxc,31184
287
+ biotite/structure/io/pdbx/__init__.py,sha256=DlVXhrcuAF9A6Gim_JMccz-j8jDZuF2liDDA5cZxzx8,717
288
+ biotite/structure/io/pdbx/compress.py,sha256=-v-lpJDxeEyYtXK3tGwQFwqm73355ZocT4U6L1bZcmk,11800
289
+ biotite/structure/io/pdbx/cif.py,sha256=va3C2ANDFSuyY72gWWboY9TPUA1DlTB3zjQVeV80b2A,34506
290
+ biotite/structure/io/pdbx/component.py,sha256=L07unwDqSrNtlCAYSjTbm3Ve8rLt_rT3K2f2-zUNP_o,8240
281
291
  biotite/structure/io/xtc/__init__.py,sha256=ipZjsWBil-h2ujdlEobyI2jGy5xsfRVOPAyCsYAJ7G4,357
282
292
  biotite/structure/io/xtc/file.py,sha256=PknO2-xzLgKTBW5Gig5Hv1HUZ4BIHRf2con2MLxEwNU,1235
283
293
  biotite/structure/io/pdbqt/convert.py,sha256=xF4m-tZG_4ykhZsknqUivFXbb6VqLXVLwmhi1AbOmuw,4008
284
294
  biotite/structure/io/pdbqt/__init__.py,sha256=a0_uIzhzCHdLBMdXhb5KEhbyRSURmqYXNwdjnJ6LAbY,441
285
- biotite/structure/io/pdbqt/file.py,sha256=aHMr0Oyf0oJbJ61AnFQlpISLCkt8gA3K15OEcd7gssM,26633
295
+ biotite/structure/io/pdbqt/file.py,sha256=XpEnIs1gW2E_r4Udnvadevo6x0ii-JmgBHnhoTFKj5g,26633
286
296
  biotite/structure/io/netcdf/__init__.py,sha256=SX8u2Eu99PXiP0kvHJ4mMCXTy68wV-ptcFdYn9DzEVk,350
287
297
  biotite/structure/io/netcdf/file.py,sha256=m5POlwjX0y28FjrK3lCglX9JD9r6iVuHJlQgJNZNStI,2192
288
298
  biotite/structure/io/gro/__init__.py,sha256=tEKrIlgahoBJXvrwtmZ1yVSOE8QW8GS6lk7MHwE2Cso,408
@@ -292,31 +302,31 @@ biotite/structure/io/mol/convert.py,sha256=sj7V7pdBlGQAAaXl7fAVf8JZC4Fd-z0gjne_0
292
302
  biotite/structure/io/mol/__init__.py,sha256=WvcNPDdf9W1zPyJ0tjTvGNxA83ht18uRQA8BF4s7Wno,582
293
303
  biotite/structure/io/mol/ctab.py,sha256=r6Ryx3ZBhlxm88PWVOWGwxrgPow95DLEAcIf8N2mkGU,13470
294
304
  biotite/structure/io/mol/mol.py,sha256=Eterau_ZfXbIkFHpDTvWzM2Yxxmem2hZn1tOQkXNuqM,5461
295
- biotite/structure/io/mol/sdf.py,sha256=6u2oSfY1BICf0TZ7qkOrMpfbbyYlf6QruoLBCipzKE8,32245
296
- biotite/structure/io/pdb/hybrid36.cpython-312-darwin.so,sha256=6bNVRuHV6TYRthS5GVv06N4XyTT0nU9k6dM_AKis3-A,209760
297
- biotite/structure/io/pdb/convert.py,sha256=fzXkfm-SN9HswZ8srj0v15RRec9hq0BtB3gCgNIlk9s,10602
305
+ biotite/structure/io/mol/sdf.py,sha256=bAfypU7QBrP4DhHDf9Qi5eKGHU_bjC4Ox0xHSlYuPxQ,32314
306
+ biotite/structure/io/pdb/hybrid36.cpython-312-darwin.so,sha256=40dqmKCofL0K8oYvjvfhyz0tNHdC8ZZeVFvPJRCqGas,209760
307
+ biotite/structure/io/pdb/convert.py,sha256=xuodAbfXe3BOuETPhV0x3D1ogJwaba9KFXr4mWuzNqo,10720
298
308
  biotite/structure/io/pdb/__init__.py,sha256=5NbUMDRKIe7jJ2ByRHpMhJzY_vIasjSgO63Zxrpq8BM,733
299
- biotite/structure/io/pdb/file.py,sha256=Ox_ufeO9B78c3ZS06Dpb0I-aYXftEhPN7T3oXnW_uW4,47896
309
+ biotite/structure/io/pdb/file.py,sha256=Qk5oX4mPh7WDF6XS0Fy8BVrhHRtQ-Ro8llpT_W41QZY,50538
300
310
  biotite/structure/io/pdb/hybrid36.pyx,sha256=BKV7oh0xrrjqVrkhTn7KEolon57fUhlG4Yf0Tf22wuU,8036
301
- biotite/structure/info/misc.py,sha256=GIdFhRtzWInhynVXNQwQpJszowmZ_0Jdqh9R706CB_Y,3512
311
+ biotite/structure/alphabet/pb.py,sha256=gtGuWDpMhJUkVUO30GHhlgNhwwzycGkkGNykw32FUjU,5995
312
+ biotite/structure/alphabet/unkerasify.py,sha256=Ri7rAxBDG7_xlddpReBJkNZrl5ues3_bygpC2gDb3XY,3201
313
+ biotite/structure/alphabet/encoder_weights_3di.kerasify,sha256=m4JF4oVWBbiu6r8DM9ONQ5Bmcbqwr5dxKfqYThOmHpk,1032
314
+ biotite/structure/alphabet/__init__.py,sha256=tUAybrggScCsom1b_EXQ63pA88L_PmQpcYS-MnqKavM,928
315
+ biotite/structure/alphabet/encoder.py,sha256=2BWLMdGBr2bHw09vMhbzPztMKSnVt8UhUf85g5M1xnY,11383
316
+ biotite/structure/alphabet/i3d.py,sha256=eIcm3l0GLkjxm17bykrfwtKpS5AYDAsDiChLOyMVCu0,3010
317
+ biotite/structure/alphabet/pb.license,sha256=OkDCfXO06BfooLXYC3iF7LXXB_Uqqex1B2gjUEFdUZI,1091
318
+ biotite/structure/alphabet/layers.py,sha256=Y1Y8G2LqqzC7M0kNUv8k-EXTVVKGLnPDJKdRrVEf3H4,2087
319
+ biotite/structure/info/components.bcif,sha256=wwalqJIJBcRDT7wXyzWbn89uSsum-4Ah87ImtfpDMVE,57915331
320
+ biotite/structure/info/misc.py,sha256=rfNLLm21FPq-Ugpf3J8tX77fxkQsotZbOY-_vbWmGP0,3429
302
321
  biotite/structure/info/atom_masses.json,sha256=WME4ezDPy-HrEIhxkOGxcmIMdgxf1x7e_xwBkFRdTsY,2383
303
- biotite/structure/info/__init__.py,sha256=SMJ93QhJitkvDwTra_MjSsGEuU1V0-PoQ1Kwq7OuRvI,679
304
- biotite/structure/info/groups.py,sha256=AVDuw4OAwxnUXx6xmCVg0IrXVX9ESKWE4rKtDNYICEY,1983
322
+ biotite/structure/info/__init__.py,sha256=k08kdsKlrxaVQ9x8MjEXoVFaXl1J8OcpLf6iG7dUgOY,698
323
+ biotite/structure/info/groups.py,sha256=dX9kK5KGyLvH38-5L7y_oaaI1poR2FIARrzfBXGSwPQ,3187
305
324
  biotite/structure/info/radii.py,sha256=sNbJZz1AU9DBkImwRwwtWZEH_A3CFow5Hsx1D-U3_Bw,5610
306
- biotite/structure/info/standardize.py,sha256=mF8N112nB5LLo6fZNOxlviZzccDD9ouFKefhR4NhSX0,7713
307
- biotite/structure/info/bonds.py,sha256=Nv-OKSjBblrGfOsYVYbE6uDs18nIvXr8l-g-7YLmXtM,4501
308
- biotite/structure/info/masses.py,sha256=kIMc-_NdEushTskuTszdd9FdrPUeqEO9EczOA9sAT7g,4483
309
- biotite/structure/info/atoms.py,sha256=vBtjGVSLjnh69nFJYJ3s9Li_cnyBDTTijTiD77CLUbc,2622
310
- biotite/structure/info/ccd.py,sha256=ZMaICtIrkUMLZ6Lvmo5riML1H9JETJqulk6ovJlafMk,3002
311
- biotite/structure/info/ccd/components.bcif,sha256=xgvErxils9GNg5s0sGI33B7w4lWeUBZRksPer3japnE,35649254
312
- biotite/structure/info/ccd/amino_acids.txt,sha256=RUyolncqbsplkY2hlajjOSciigyZEYL1GCx_f63jXx4,6669
313
- biotite/structure/info/ccd/README.rst,sha256=sfFRGesjpATIp5S8kiEV7cr-Jb51fWLGT4KypmzsoPM,342
314
- biotite/structure/info/ccd/carbohydrates.txt,sha256=bh5Vc84tETB-FKUm6H1brBN6zM5a2zzzwuWyb0MXaLA,4544
315
- biotite/structure/info/ccd/nucleotides.txt,sha256=Q7Zjz45BAO6c2QDAgvYdKtWAqmjQxy2NQ6r-bsZRqv4,3136
325
+ biotite/structure/info/standardize.py,sha256=hWsxKSo7xdiGRyOoQcay0mslPTtb9cQuQds5IsWG8Xg,7759
326
+ biotite/structure/info/bonds.py,sha256=6pXAZPeKPL2pwFi5fhSyTwh_gd5fToIgvwguGffrE-0,4644
327
+ biotite/structure/info/masses.py,sha256=HOdaeFZkd5LSrl00025S1MwXT7im8V-s0bU54tr1te8,4555
328
+ biotite/structure/info/atoms.py,sha256=RniEQ9e_ocMV3sPdpTokm4s-V8A49n0W0ZsYoEv4YVI,2622
329
+ biotite/structure/info/ccd.py,sha256=EBSqvzgIXl7U5wxSVOFPSaLQLBRP2E_mUVXEwsRyOO4,5853
316
330
  biotite/structure/graphics/__init__.py,sha256=YwMT8-c2DjrkcwyK6jPeDtAKxQda0OhElnwk8J0y3Hc,353
317
331
  biotite/structure/graphics/rna.py,sha256=w7zFMKo2ZZ4n60SkbkupEXPxe3-KUNa261PF784ry8k,12016
318
332
  biotite/structure/graphics/atoms.py,sha256=988_URX4hfTE3oBOYgAvZruOrzogMPcFKiTT5RJL01E,8116
319
- biotite-1.0.1.dist-info/RECORD,,
320
- biotite-1.0.1.dist-info/WHEEL,sha256=RuH0OSSkE2iFFCiqpmSxZqGj3WHRpMHdUp0bulkW7xo,105
321
- biotite-1.0.1.dist-info/METADATA,sha256=lnwl1IjHDLJ5EVhHYSUQplx3-4Ql4gbbezrkspTCRK8,7159
322
- biotite-1.0.1.dist-info/licenses/LICENSE.rst,sha256=ZuNQuB65Dxf0rDB_5LxvA4SVQJBWxRZyvbjbvE-APWY,1534
@@ -1,8 +0,0 @@
1
- These files are based on the
2
- `Chemical Component Dictionary <https://www.wwpdb.org/data/ccd>`_
3
- and were created using ``setup_ccd.py``.
4
-
5
- To keep the size of the repository small, the original commit should be
6
- rewritten, if the formats of the affected files are compatible with the
7
- original ones.
8
- The name of the commit is ``Add CCD dataset``.