biotite 1.3.0__cp311-cp311-macosx_11_0_arm64.whl → 1.5.0__cp311-cp311-macosx_11_0_arm64.whl

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Files changed (52) hide show
  1. biotite/application/dssp/app.py +63 -6
  2. biotite/database/afdb/download.py +12 -6
  3. biotite/database/rcsb/download.py +1 -0
  4. biotite/database/rcsb/query.py +2 -2
  5. biotite/interface/pymol/object.py +3 -1
  6. biotite/interface/rdkit/mol.py +5 -5
  7. biotite/sequence/align/banded.cpython-311-darwin.so +0 -0
  8. biotite/sequence/align/kmeralphabet.cpython-311-darwin.so +0 -0
  9. biotite/sequence/align/kmersimilarity.cpython-311-darwin.so +0 -0
  10. biotite/sequence/align/kmertable.cpython-311-darwin.so +0 -0
  11. biotite/sequence/align/localgapped.cpython-311-darwin.so +0 -0
  12. biotite/sequence/align/localungapped.cpython-311-darwin.so +0 -0
  13. biotite/sequence/align/multiple.cpython-311-darwin.so +0 -0
  14. biotite/sequence/align/pairwise.cpython-311-darwin.so +0 -0
  15. biotite/sequence/align/permutation.cpython-311-darwin.so +0 -0
  16. biotite/sequence/align/selector.cpython-311-darwin.so +0 -0
  17. biotite/sequence/align/tracetable.cpython-311-darwin.so +0 -0
  18. biotite/sequence/codec.cpython-311-darwin.so +0 -0
  19. biotite/sequence/phylo/nj.cpython-311-darwin.so +0 -0
  20. biotite/sequence/phylo/tree.cpython-311-darwin.so +0 -0
  21. biotite/sequence/phylo/upgma.cpython-311-darwin.so +0 -0
  22. biotite/structure/atoms.py +1 -1
  23. biotite/structure/bonds.cpython-311-darwin.so +0 -0
  24. biotite/structure/bonds.pyx +67 -6
  25. biotite/structure/box.py +1 -1
  26. biotite/structure/celllist.cpython-311-darwin.so +0 -0
  27. biotite/structure/chains.py +34 -0
  28. biotite/structure/charges.cpython-311-darwin.so +0 -0
  29. biotite/structure/compare.py +2 -0
  30. biotite/structure/filter.py +2 -1
  31. biotite/structure/geometry.py +164 -2
  32. biotite/structure/info/atoms.py +8 -0
  33. biotite/structure/info/components.bcif +0 -0
  34. biotite/structure/io/pdb/convert.py +1 -0
  35. biotite/structure/io/pdb/file.py +31 -7
  36. biotite/structure/io/pdb/hybrid36.cpython-311-darwin.so +0 -0
  37. biotite/structure/io/pdbx/bcif.py +7 -4
  38. biotite/structure/io/pdbx/cif.py +6 -3
  39. biotite/structure/io/pdbx/compress.py +15 -11
  40. biotite/structure/io/pdbx/convert.py +42 -26
  41. biotite/structure/io/pdbx/encoding.cpython-311-darwin.so +0 -0
  42. biotite/structure/io/pdbx/encoding.pyx +39 -8
  43. biotite/structure/residues.py +173 -1
  44. biotite/structure/rings.py +117 -1
  45. biotite/structure/sasa.cpython-311-darwin.so +0 -0
  46. biotite/structure/segments.py +39 -3
  47. biotite/structure/util.py +14 -22
  48. biotite/version.py +16 -3
  49. {biotite-1.3.0.dist-info → biotite-1.5.0.dist-info}/METADATA +1 -1
  50. {biotite-1.3.0.dist-info → biotite-1.5.0.dist-info}/RECORD +52 -52
  51. {biotite-1.3.0.dist-info → biotite-1.5.0.dist-info}/WHEEL +0 -0
  52. {biotite-1.3.0.dist-info → biotite-1.5.0.dist-info}/licenses/LICENSE.rst +0 -0
@@ -1,4 +1,8 @@
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- biotite/version.py,sha256=qDtcPZdKzxLpd8vVl6fpIFIMkWt2HK_cO9gLDwaHEdk,511
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+ biotite-1.5.0.dist-info/RECORD,,
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+ biotite-1.5.0.dist-info/WHEEL,sha256=fm1N917lvYihbGT4OyonPrhA6HCp511clhZcK6Fbvns,133
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+ biotite-1.5.0.dist-info/METADATA,sha256=UUKw6ATrAZtUc-I5_CvIIate_rM_OP8QyhHmLKF2tjY,5525
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+ biotite-1.5.0.dist-info/licenses/LICENSE.rst,sha256=ZuNQuB65Dxf0rDB_5LxvA4SVQJBWxRZyvbjbvE-APWY,1534
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+ biotite/version.py,sha256=sfeo6QRBwy3wEFaKhAEbFPpF98FLjoe4Car1c6NnghQ,704
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  biotite/copyable.py,sha256=C7ycTQxqanxT0SmXhzy5OLp7NpZdNWHyokozdoVDGNA,1897
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  biotite/__init__.py,sha256=rL8ZyaCUjOrECEvRxyHj8MOMp4FHMJ8n6KKgrYf5OAQ,545
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  biotite/visualize.py,sha256=GSxIL8PLXMDlaULG-ckSghRifQnBnkseZ-OWsnuno4M,13955
@@ -21,23 +25,23 @@ biotite/database/pubchem/query.py,sha256=Z_DVRY62HhelCtMr3xwUOZBBUpNCwTKVC8ey9dG
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  biotite/database/pubchem/download.py,sha256=p1UtPJ1YuccDWLsXE4Zd410RwqgbwCHj5ZDcISQ6-5U,9870
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  biotite/database/pubchem/__init__.py,sha256=xjwfutIL4-JeTs7v4wCkRyy5q4KE7fGWDvo46ubkXt4,669
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  biotite/database/pubchem/throttle.py,sha256=HXf2l7EW5RLdW0bg72uSdXCDZXFXOE49akhfgKhEdc8,3286
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- biotite/database/rcsb/query.py,sha256=Ar2uZRuOCMm0RQeMATHfAeTeW5G8eNfg2Iy5qMMZ8JU,32895
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- biotite/database/rcsb/download.py,sha256=AtRljEV60NReeuWno-YFNrzrpFY_hetghO31-8VojtE,5676
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+ biotite/database/rcsb/query.py,sha256=svweSjUNDOuZRLDfYTN17goFPOeHKhHs_qPvi9VkKs8,32897
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+ biotite/database/rcsb/download.py,sha256=a2Epoari3qItLTbBpjKWgBL-H4tbOAP9UQlUnhkXSS4,5757
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  biotite/database/rcsb/__init__.py,sha256=sTJnL4vYwhO7gSszMuT_Lr91uwX0wM1h-fZWiZkITYA,332
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- biotite/database/afdb/download.py,sha256=sIaGz0hTj1MBA_XIw9HCP6NGnPfNAyPgryOhLuRa9i8,6367
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+ biotite/database/afdb/download.py,sha256=cSi6x4KXSDHBm4qv7-dK4Q4k09uefNSoVGZjHWHfjQs,6679
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  biotite/database/afdb/__init__.py,sha256=VqRn4WE6wJWS4Sd916xchmMz7tyPpEflnwOVnInhEOs,333
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  biotite/interface/version.py,sha256=1duxoIDwBB6onugS5QqrM1iyM_O644Dw0FGai0V9ssc,2952
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  biotite/interface/__init__.py,sha256=CEbr_8h6pt3za2ybSeePcNKMsA2vkNUbzYhzP62g2Lg,717
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  biotite/interface/warning.py,sha256=rU1F-b1MeIj1OWaK6wMeuM_YE-WKNGqo2TehjTr10KM,577
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  biotite/interface/pymol/startup.py,sha256=8W0wIx13MGqGNvwTTT7ogmgypXCO48PI5w-DVPdS9jw,4619
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  biotite/interface/pymol/shapes.py,sha256=Q34C5H5PkH4XbnyymwbJYp9iFD2Idj2a_qzDRA8tohQ,6066
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- biotite/interface/pymol/object.py,sha256=5_zG4rn-sjreAHGdRLW45IxK9A096zXjgxn1cEgOVag,44193
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+ biotite/interface/pymol/object.py,sha256=c0BxeD2rxyPNonXBTA1iLINSRA4_Ljn1_Tzpf4_rLYg,44280
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  biotite/interface/pymol/convert.py,sha256=ldLXSiFdwhEkoZkTtLFOMvymIh9oLniChve54SbHJLA,6044
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  biotite/interface/pymol/__init__.py,sha256=bOX95ek4eKSgZFYynrfcuZFRgjADYvhbrVWCR6ok7yc,6648
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  biotite/interface/pymol/display.py,sha256=KJfCM9-hzvFdC5KFxvG5-oEXd0MIaf3Ocr3dMQVoipY,8458
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  biotite/interface/pymol/cgo.py,sha256=wlG1GkbHAGYVdzaOUPQ5KzI-29lrDkutt0NRw7PIq-8,9859
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  biotite/interface/rdkit/__init__.py,sha256=K2gVw_wrbIU0v-I3RgRvrihdtcpFfL9_t-IlObLuCMk,532
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- biotite/interface/rdkit/mol.py,sha256=T4Nnc3ttQFfy-4YbbSRLuTpcAhahWjqQGwM7fypouEs,19644
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+ biotite/interface/rdkit/mol.py,sha256=iMPR8U5girjnCa2-xLHQG1duw-tR3bUruVQRa1O27fc,19629
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  biotite/interface/openmm/system.py,sha256=V-SDc1YDa6nKHcREXz1cGAN7jZJ2X1cPf0gazz_Gv6s,7018
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  biotite/interface/openmm/__init__.py,sha256=ZcLsA9PPsrFDtY7rTMspizpCCQ_Fnm7vqwY-E5xTw6k,587
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  biotite/interface/openmm/state.py,sha256=jmdLw1xc7TQbgeOnZGgSgdmD_rR9VEnMqhX0Wnw_1Jo,2723
@@ -48,7 +52,7 @@ biotite/application/__init__.py,sha256=gOy5iGp5uuKTd0qpR9LgsmanB3ZfdQaTnZcKMRDwS
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  biotite/application/application.py,sha256=MLMft5z1ocBMsTOXkUg-ZeZj0jC8l6WHrYSjgkE7iW8,8096
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  biotite/application/msaapp.py,sha256=6e88Q7vgGSK_5uKdOVPcZF6wMKDRGYEKrvc9tb0yjbs,11974
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  biotite/application/dssp/__init__.py,sha256=lUf-A2rJzPLJYZQZGpZUt7HtA0M59KaX6zQSCrkhfF4,323
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- biotite/application/dssp/app.py,sha256=tHoG8uFmX8WaBHm0Fhjc7D0NXEaMa-zkLvwFzyP4FQk,5323
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+ biotite/application/dssp/app.py,sha256=Xs0A764NKchkGFVEfB4bqBinFC5r2wNyAmKEk4G06dQ,7612
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  biotite/application/viennarna/rnaalifold.py,sha256=QawXG9hYKQzdRt8-J_WiXUcoJx7Whps-iSCzq7DFJEA,10683
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  biotite/application/viennarna/util.py,sha256=racSlWGMtRRNtc_wh-ggIJWPDNoxIqwejc_Ztgusk8Q,2635
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  biotite/application/viennarna/__init__.py,sha256=m2obwXBnkDzRDzjrffsGdnp7YxAFz6CctsSmmg03xVI,473
@@ -70,7 +74,7 @@ biotite/application/clustalo/app.py,sha256=f5NEOkKCiTDlIVNJ1ozefzixwndVC4_vPQq8a
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  biotite/application/muscle/app3.py,sha256=Otgzi3VEYv0iQ_q5TesRJEfB6krbF7wXxfN87JzdKFg,7653
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  biotite/application/muscle/__init__.py,sha256=B1JrhQYjgwSKWxpcYgXS91f2GM5Tc1i9Ocs2wElslRs,338
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  biotite/application/muscle/app5.py,sha256=xYF-iLn-UVue-vu4yGJFaQVtnPi561rwoIVwVCIu_C8,4474
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- biotite/sequence/codec.cpython-311-darwin.so,sha256=_KQ5OPMg6H6FhDGtut5lvt9g734ZKpY9cZiWf21_eIg,285816
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+ biotite/sequence/codec.cpython-311-darwin.so,sha256=SzVgeFWSkSowzyEk9eeT-0Iwxc3rxWPN4x_CS2Kx6c0,332504
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  biotite/sequence/annotation.py,sha256=L_TZL2Gmsuokbr6A6Y6gVa4hbEM3ox_NJ_P5PTsZ4V0,29705
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  biotite/sequence/codec.pyx,sha256=ed415FTMBJfiI9WbgKRFO3tF1f_SpRHxyEafLxW-g1k,4962
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  biotite/sequence/sequence.py,sha256=eIZ7Ugz9IwXlWXs_HC2NGyAtDDcP-Vf1z82jynT_PPE,11691
@@ -97,36 +101,36 @@ biotite/sequence/io/genbank/file.py,sha256=5XvuJCd_FuI2zh03_bLbLSAuORNw4tXr7p9sG
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  biotite/sequence/io/fastq/convert.py,sha256=x4rWn7WHdKxW1u7mwDgM8Z3qaML4lAO7r-JiMTQbvaI,3632
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  biotite/sequence/io/fastq/__init__.py,sha256=lhw9bxWS0eKPXzF1lg8fvrNmgAmJPLBzIB6jEP5GOVI,588
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  biotite/sequence/io/fastq/file.py,sha256=Q5jrBN21Fi0hp6rU5cc68kQPYc1jWdZfMwhx0Ze6oGw,17817
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- biotite/sequence/align/selector.cpython-311-darwin.so,sha256=ekqt9Kb9HTP2ekyGL6KAobhL1S43Kr-x7IQS_HQUMDg,331120
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+ biotite/sequence/align/selector.cpython-311-darwin.so,sha256=mUuOCVns1n9XgLh_QFvWJxBrFitPq-zVxUvhM1HWxPQ,351648
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  biotite/sequence/align/permutation.pyx,sha256=xbbw5DJ7c5SXnuSUl2hJUMxzvinKP1Khc7CSdH5cEE0,10028
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  biotite/sequence/align/selector.pyx,sha256=BstkOkz-nB2dPtkZIZbU5QlCT-h3QHxdsGg1pGUh-Qo,33471
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- biotite/sequence/align/kmeralphabet.cpython-311-darwin.so,sha256=XRoFxsGF5cKBsU_avXcvDIUd3fqAgdLu5WfuMY2R2dE,420032
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+ biotite/sequence/align/kmeralphabet.cpython-311-darwin.so,sha256=5R8VYBfSiAusBNCpEDMlL5BaPUTe_lVfaOwjZ2xkkOA,455408
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- biotite/sequence/align/kmertable.cpython-311-darwin.so,sha256=pBg3Xmr2rbriKK98R_W0xy1aaNtLUKlF4mQ4utAbRH0,728560
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+ biotite/sequence/align/kmertable.cpython-311-darwin.so,sha256=U-HjbXd1jULZITeJGXlzr-VHiUCEcxTBxWjMjYiKVI4,795424
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- biotite/sequence/align/kmersimilarity.cpython-311-darwin.so,sha256=XZIf5x1WRgXLtwsZdGWPwgPQ13xbg8CTqv125AUpVW8,232440
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+ biotite/sequence/align/kmersimilarity.cpython-311-darwin.so,sha256=OjJO6pEaMdfsTW5Ci9IJJVx4ssaHzdLrKN8OhLrlCWM,243432
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- biotite/sequence/align/tracetable.cpython-311-darwin.so,sha256=H27GffGcIPGyY5nMGg-bhu8dgbstvjZoGBUAjOhjzME,204496
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+ biotite/sequence/align/tracetable.cpython-311-darwin.so,sha256=kTbp5b378e5cdtFPcCS8aryuYw3_nLl0GyMX2ooamDU,208720
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- biotite/sequence/align/multiple.cpython-311-darwin.so,sha256=evOomWmsjPv9l2tDzcxdBd3mY_DT0AoBhYneijQSZ0Q,503104
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+ biotite/sequence/align/multiple.cpython-311-darwin.so,sha256=Lfg1IkTI_x2jCb0xJ57LYjW4M3BE7TZ709253FMCQgE,557488
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- biotite/sequence/align/permutation.cpython-311-darwin.so,sha256=1_AEYXjMfD-u7lboQvfKfRLcJqKJHyw9qB-eSOCsJ54,236400
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+ biotite/sequence/align/permutation.cpython-311-darwin.so,sha256=qktWIZTelPEtom4XNVDRozLV3MwYhUZyBa1LX3nTJR8,262672
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- biotite/sequence/align/pairwise.cpython-311-darwin.so,sha256=4UD-oyXu9KxWm-XAuB6KFpeqZphuGI1NMMcoESk7v7M,561840
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- biotite/sequence/align/banded.cpython-311-darwin.so,sha256=z9HdFLT5Wkr80FpObSWHRK8HjvS0xiHfaHAWTSnmIlw,524784
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+ biotite/sequence/align/pairwise.cpython-311-darwin.so,sha256=i-C_POCjGtn0E4TSV5Cr47dqUSw474ikCPrvwSUY6wg,691648
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+ biotite/sequence/align/banded.cpython-311-darwin.so,sha256=jv5RDBBVIt3uw0SQuKgAteGddwrRyPdmNfjCOxMY5Z8,632000
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- biotite/sequence/align/localgapped.cpython-311-darwin.so,sha256=d_Fg2sJTwBQ5Yvn8kVGz0SRaQQ7I24gvEddptzxWukg,1184768
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- biotite/sequence/align/localungapped.cpython-311-darwin.so,sha256=msaoxkvrJCCdwT41zGu_8f7PGC9kI0fvrO6mdRBSzLs,306320
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+ biotite/sequence/align/localgapped.cpython-311-darwin.so,sha256=5fZfj3LQK81eSn3FZKW5_u4v2Fh1Gyn6MxHPxjIBLkw,1304096
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+ biotite/sequence/align/localungapped.cpython-311-darwin.so,sha256=8Qgy5zsQA2gaMe9I64KYS9_V9Wo4vQT5ugxhaCLGO8k,354160
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@@ -247,47 +251,47 @@ biotite/sequence/graphics/color_schemes/jalview_zappo.json,sha256=V0IJ-GsT8G8-J9
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+ biotite/structure/io/pdbx/bcif.py,sha256=8dQyPCtQho4tV2dRK52hOsifOOGnXPMLI7SDJt_UgaU,21248
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+ biotite/structure/io/pdbx/convert.py,sha256=gNdslGuHHQwixoacevhxLgUpCtY3AZEvSNUYvP0W3UQ,80733
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+ biotite/structure/io/pdbx/compress.py,sha256=YAUaMsaXwmxpFOnbYgkrTl4k-k3PiBXyC6tKWAajxfI,13407
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+ biotite/structure/io/pdbx/cif.py,sha256=1hY4-brq_kX_Hg5-OJm600zcdXV6KDidZhTdHKQunYY,34979
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+ biotite/structure/io/pdbx/encoding.cpython-311-darwin.so,sha256=G4td_-Wqlc7GOTYEqoivDkm2kgUfDeWFKz9rhY8BUi0,1405712
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@@ -321,11 +325,11 @@ biotite/structure/io/mol/__init__.py,sha256=WvcNPDdf9W1zPyJ0tjTvGNxA83ht18uRQA8B
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+ biotite/structure/io/pdb/convert.py,sha256=nnRZl5cG5N6UQURG_oSfLZ1z32uXeiF9pOMcpOTFNcI,13826
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+ biotite/structure/io/pdb/hybrid36.cpython-311-darwin.so,sha256=G7WKVXNaz52YCC8d9uegLipE8TYhdm_5cOaDWzSoPBw,236080
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@@ -334,7 +338,7 @@ biotite/structure/alphabet/encoder.py,sha256=2BWLMdGBr2bHw09vMhbzPztMKSnVt8UhUf8
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+ biotite/structure/info/components.bcif,sha256=mQrO6PEOkPNw2i1DHp5qugNyDx0g-2d_uV-T4KD1bwI,62070945
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- biotite-1.3.0.dist-info/RECORD,,
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- biotite-1.3.0.dist-info/licenses/LICENSE.rst,sha256=ZuNQuB65Dxf0rDB_5LxvA4SVQJBWxRZyvbjbvE-APWY,1534