biotite 1.3.0__cp312-cp312-win_amd64.whl → 1.5.0__cp312-cp312-win_amd64.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.cp312-win_amd64.pyd +0 -0
  8. biotite/sequence/align/kmeralphabet.cp312-win_amd64.pyd +0 -0
  9. biotite/sequence/align/kmersimilarity.cp312-win_amd64.pyd +0 -0
  10. biotite/sequence/align/kmertable.cp312-win_amd64.pyd +0 -0
  11. biotite/sequence/align/localgapped.cp312-win_amd64.pyd +0 -0
  12. biotite/sequence/align/localungapped.cp312-win_amd64.pyd +0 -0
  13. biotite/sequence/align/multiple.cp312-win_amd64.pyd +0 -0
  14. biotite/sequence/align/pairwise.cp312-win_amd64.pyd +0 -0
  15. biotite/sequence/align/permutation.cp312-win_amd64.pyd +0 -0
  16. biotite/sequence/align/selector.cp312-win_amd64.pyd +0 -0
  17. biotite/sequence/align/tracetable.cp312-win_amd64.pyd +0 -0
  18. biotite/sequence/codec.cp312-win_amd64.pyd +0 -0
  19. biotite/sequence/phylo/nj.cp312-win_amd64.pyd +0 -0
  20. biotite/sequence/phylo/tree.cp312-win_amd64.pyd +0 -0
  21. biotite/sequence/phylo/upgma.cp312-win_amd64.pyd +0 -0
  22. biotite/structure/atoms.py +1 -1
  23. biotite/structure/bonds.cp312-win_amd64.pyd +0 -0
  24. biotite/structure/bonds.pyx +67 -6
  25. biotite/structure/box.py +1 -1
  26. biotite/structure/celllist.cp312-win_amd64.pyd +0 -0
  27. biotite/structure/chains.py +34 -0
  28. biotite/structure/charges.cp312-win_amd64.pyd +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.cp312-win_amd64.pyd +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.cp312-win_amd64.pyd +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.cp312-win_amd64.pyd +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
@@ -2,7 +2,7 @@ biotite/__init__.py,sha256=gzqOy5P7Zf667uYuUwqjLLW0GiBdqc23NLcZaXMuHKw,563
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  biotite/copyable.py,sha256=Qnja44k58dAc3WkIUM0svqrbvqO9pSV-Atr9MUJSoCI,1968
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  biotite/file.py,sha256=ktpRUk0OH5_wKIJHtCX3zDjXeJ3eQ4ycDjpp7HttUYM,6977
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  biotite/setup_ccd.py,sha256=9StRz4qPVdTJNrPUoA_liwvkKnTb8O0U8PDxt1tDVwc,6248
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- biotite/version.py,sha256=gjq5-5A1fJztrO0JABjZYm7eEvg0FysPGOYPEkyBwM8,532
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+ biotite/version.py,sha256=a0LCpMUrWvoHmGZMFOnfkJM72arixdqmkpppsg9N0JI,738
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  biotite/visualize.py,sha256=z4lBfJAt5YxGqtgxgcLHKMwVcE4u6fqExEyrOHcSiaY,14330
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  biotite/application/__init__.py,sha256=Rei3EwlpCnC_cJNQoTJYY_Gw_qLdsqgnRxV5b1slHJU,3148
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  biotite/application/application.py,sha256=J9ydVvN_5C3nYuLl12EPBhM67i0GQm6MPy0F1K-jdgc,8372
@@ -18,7 +18,7 @@ biotite/application/blast/webapp.py,sha256=7-r_Jw7gHysUb8Zjsv5mc0WyFdbWblamqVXYq
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  biotite/application/clustalo/__init__.py,sha256=UtEQiS9nDZF9-Sup3kbi06mTjv6YRD9Qbu5A722bNlY,338
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  biotite/application/clustalo/app.py,sha256=hBnmdh2nhA1ipxz4OzVZ52UMyA0hqxf_MAej3bygbWU,7637
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  biotite/application/dssp/__init__.py,sha256=smuKF9_8g5xzY-MFjYXTYa3wbTfQD4g6L3TDCfMTr8w,335
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- biotite/application/dssp/app.py,sha256=ZBgW5R5Y1nt1D69imUpc_79-XPm9N3yqfdZKxgVc8-M,5482
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+ biotite/application/dssp/app.py,sha256=0HwYT2XDo8nPPtixlLUfL-rPAZkt4wjtMKEuogQQ57Q,7828
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  biotite/application/mafft/__init__.py,sha256=urPUmmuKAsB9DQeEeaj8EDt3uL0UjgBSo76H2HnLsLs,327
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  biotite/application/mafft/app.py,sha256=W_iWXuaO0CaCFpnTyawlmQ1P0wt9pnGnwr-AzAudLM0,3397
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  biotite/application/muscle/__init__.py,sha256=26qqctlXpZqoFBD1K_y_Zv7QZfDdMHOodGAXW20r42Q,351
@@ -36,7 +36,7 @@ biotite/application/viennarna/util.py,sha256=lfssotSqZl4cO1ibgtgXgEFVzL9s1xMM-99
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  biotite/database/__init__.py,sha256=N3PuLKuEbQ0J55CddwryBGiLfYSazC697F8KnxizrKY,748
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  biotite/database/error.py,sha256=L_FvDa-F4XUaCIVo6ZtLXIMn6P-cv783lvxR_Rtluqw,426
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  biotite/database/afdb/__init__.py,sha256=SMcUJ0mPNdc-bnnW3wlsw7sDyBwGfU-_2Z2Dt_nB6xo,345
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- biotite/database/afdb/download.py,sha256=GMyGuT5RHSWXdwA712_1yLWwloEBgJEWsbLTtVVs6vs,6558
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+ biotite/database/afdb/download.py,sha256=kXhNvxKQJETZlbBTdNUPlmMjPyF32adr5PIv_HPVZHw,6876
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  biotite/database/entrez/__init__.py,sha256=88kXhS1XqXb4exnfZIaKD98t3RH3gEZBiNR-aBhl-OE,403
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  biotite/database/entrez/check.py,sha256=3JQZshjekA1woJll6UefEsUZ8kMw-MG1uh86jGgDomQ,1913
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  biotite/database/entrez/dbnames.py,sha256=uQ5t5PCb1qrAmAdh8xWzO0WPWY3DybkW-JS4BRjQiR0,2873
@@ -49,8 +49,8 @@ biotite/database/pubchem/error.py,sha256=zQKHntwQDkcdm2ImKQgta2V45KeUaFfmM8tTaVw
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  biotite/database/pubchem/query.py,sha256=NJoFI-feTXivZfa6AoJGJDrYA6v_CEQSQjR5dDExvTM,26905
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  biotite/database/pubchem/throttle.py,sha256=V4RzypMfh1IaBC8yZrH1l8W1k7v2KLpj1_fK94k-__w,3384
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  biotite/database/rcsb/__init__.py,sha256=BKYOAhSIX1zb00wp_6bw30M7XGliu64B35Dm2Gf-A14,345
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- biotite/database/rcsb/download.py,sha256=hknojHvR_pj6Q_zwuHEJbQudOZehRG0dBsHZzlQkTfk,5836
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- biotite/database/rcsb/query.py,sha256=Dvpp7nV4UwPH_3gVmIyHmvP4AsIHGQcgoZPUDkULG-4,33858
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+ biotite/database/rcsb/download.py,sha256=xqaazuObTNsuhcebeJhvn6_kRomjnIET-wTklEGQ4q4,5918
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+ biotite/database/rcsb/query.py,sha256=A0omwS_Ax4Jd0bvgpuRW8f-NW5_5LS59ehTQQJphgR4,33860
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  biotite/database/uniprot/__init__.py,sha256=0U1mt1nphhPZomlauOeMEVDfFx-6Npyi2eGsf6ztH6E,347
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  biotite/database/uniprot/check.py,sha256=cVF0UfiUCT2nZ1jLWVfs1Ygghzx30ZXy1yj2vvASL1A,1418
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  biotite/database/uniprot/download.py,sha256=7hv050jxaeVQpmKiAEG_pRsyEtHbiTH-6Qc1VUsjBpk,4360
@@ -65,11 +65,11 @@ biotite/interface/pymol/__init__.py,sha256=fL56vVJ0Ro-3aftoE3lBVRmwPRl2iHWhsnSEB
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  biotite/interface/pymol/cgo.py,sha256=naAQ-5R2wpsbXy3UkjkFvGkzRx8xVr53qlGpltyRO8I,10205
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  biotite/interface/pymol/convert.py,sha256=mukBkBjGO0kv5Ec_ALG9i3BPYUCap1Zf1LiIJvBLrZw,6229
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  biotite/interface/pymol/display.py,sha256=R8vgVRoByPr_mkhm81fJdtzyZCMzRj8jyfviNPAfTLU,8725
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- biotite/interface/pymol/object.py,sha256=t_sT7lu1Vh_jC0uzzv7ydSf02jzeClT4tfiPN9fIMyY,45419
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+ biotite/interface/pymol/object.py,sha256=-eegu5qwye8_WE_89baCsk7nfqeHpQo50VoXPa4dCjA,45508
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  biotite/interface/pymol/shapes.py,sha256=w0_fBczmPtI3tQrmrwOp8owg6WUfhX3qXhKXibtfwBA,6244
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  biotite/interface/pymol/startup.py,sha256=vHdpd3RusQXJr9PSPbJxWbo8CuJSN4YpecNCM0az1Ak,4788
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  biotite/interface/rdkit/__init__.py,sha256=0hPcE6j-HKorkcFq3thhx6k2BEjeo0bbwuCGTEqB5YI,551
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- biotite/interface/rdkit/mol.py,sha256=GH0iSrs54qNWSZbVjPw3T0hjJbTWkCFjTwpq8ef7XTI,20134
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+ biotite/interface/rdkit/mol.py,sha256=EbNDkS0EqjJ6IxDIJHrAjMParbIDkfZpjjRY9R9L5M8,20119
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  biotite/sequence/__init__.py,sha256=fUoOYLTavBTicHu-JCQkvrCAyRfKRspfCItufOBDGGE,3507
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  biotite/sequence/alphabet.py,sha256=rI3KC_U05_gdLdXypGDicmJWvU2ruISMlCxr-NGPi0E,17782
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  biotite/sequence/annotation.py,sha256=XeVjiagSR5aVIRywAIl927Iwdgni4VKj7SyQJjP9Wkw,30541
@@ -239,19 +239,19 @@ biotite/sequence/phylo/nj.pyx,sha256=YOseJP7fKCnqhh8w3mK1z3fw6cKF5sU5oRkb1D3X9vI
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  biotite/sequence/phylo/tree.pyx,sha256=kmT2kO9cH3svQOxsyuPLfbUsWnTNdfVrx5xaxcmTC3I,40374
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  biotite/sequence/phylo/upgma.pyx,sha256=llgc-9fEOU-D1a-ESMSIAoPjHvsd_L0-GnwkL-uzWNc,5376
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  biotite/structure/__init__.py,sha256=nTlutppQQCPYYPH0MXB104--L70rOPUj6P8CcRDyUKA,5623
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- biotite/structure/atoms.py,sha256=x6SnfqCTZIWWReEh62YDUTF3sPjjJKkldDYqu2XigDk,52406
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+ biotite/structure/atoms.py,sha256=O44og4-KvdmHv2ogAHkCRo9p-D228XxWvy2ueXjL8Ro,52399
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  biotite/structure/basepairs.py,sha256=4IfbB0yE7-a1cGnMmYwpCu53zVBiJBOyGJ-TxzzigmY,51311
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- biotite/structure/bonds.pyx,sha256=mFJxrbNtGDHQWdSD5KwEJgGsIsfZBo8B18C4DvknYvo,71734
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- biotite/structure/box.py,sha256=ryQDQc0PkuPHfk7dRdMMVUreKWGhbZGPOZZUwhtCaW4,24112
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+ biotite/structure/bonds.pyx,sha256=b3MKKo_ttNUNfoDCCaxrYKNhpNgwOcPdGe2pd-ZrreA,73827
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+ biotite/structure/box.py,sha256=8JjPHYdc0_SQsMSb6i05GmghW8O0KQZ20ZrSgtKYuXo,24120
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- biotite/structure/chains.py,sha256=Xv9VwUQbko6Yg7zCqwNAUCm7x6qTciQ0NqUUSRYmswo,8600
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+ biotite/structure/chains.py,sha256=uEGd7AHk-UHjQm1o_vYSeSWs5tbu7YpOv2LFi1BSpn0,9657
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- biotite/structure/compare.py,sha256=h6v6pAVxLiDKzeEbFltI9OuLtVBNVCAmFU7m8whFcKE,28034
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+ biotite/structure/compare.py,sha256=Sy9xVcDY0sELBHcVfvXV9fn6OawgUjGGyKOTnWwavqM,28120
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  biotite/structure/dotbracket.py,sha256=1aOy386N6H666YK_vVaE1Ed28Xx9-OlW9jWLI51v0U4,7411
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- biotite/structure/filter.py,sha256=Iw5G6Qa53D6ZA-XH0fLY-vosl6AZHMJtmIvs4hcHc94,18585
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- biotite/structure/geometry.py,sha256=vAMYYyTU-wrhx5twVYLrtan0UEdLmG-C-opuTZjhHjM,24331
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+ biotite/structure/filter.py,sha256=-5okdIyY5TmLQzeA2ra5LZ1e1N_VVdZTGJqLWhDAlww,18717
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+ biotite/structure/geometry.py,sha256=ycXKiQKahVmUMCmUx985z44bck3CzgLS6vULhNKN9c8,30098
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  biotite/structure/mechanics.py,sha256=hg1wre3uPAuXfyZ976mryvd0_Db1UE-iTLE9qjfwijw,2659
@@ -259,10 +259,10 @@ biotite/structure/molecules.py,sha256=VdfD4w5cbbT4_qQdNHYgIjqwQSvaS-SbfNE5ytNCBq
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- biotite/structure/residues.py,sha256=3g3b1SBh-euil6wKg-WSNJWwhhsUp2BUAI68-Yhgu14,22378
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- biotite/structure/rings.py,sha256=2lkqhvlR1ENvmbXpzXg5stzh1mVfLwSXGBSLrtXUzYY,11781
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+ biotite/structure/residues.py,sha256=ly9chJtAtdfebJ2mVOAWMCXOjUG6-ktXlChl8l0dRxE,29119
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+ biotite/structure/rings.py,sha256=XF4wH_nCIswVgtC22gF81nxDvwyWO2gRKtNLoJgxiIs,16035
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- biotite/structure/segments.py,sha256=ZfU1WtimhcvXy0tWv7AYbW1wis04_DtxC4Eal2u2JrM,10033
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+ biotite/structure/segments.py,sha256=LfdrVVkXGi47q4dMkY9snp6IISuO4BYoT-ZHWQhheHc,11113
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@@ -270,7 +270,7 @@ biotite/structure/sse.py,sha256=Th5LBvwV6x94d1vbBdxFnKGBqaPxDkTit9qNgeFBC78,1171
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- biotite/structure/util.py,sha256=7X_h7YYzwXLYc2XjFR-BQPAosNCqdZnxbbfonyO-NGA,5127
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+ biotite/structure/util.py,sha256=4RFmNVWBahav330Cd9YbxJIAmBO9FHzSeV5oGPl9lEY,4558
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@@ -284,10 +284,10 @@ biotite/structure/graphics/atoms.py,sha256=acZXrWVRblk83FfLePe3pHoMcjJJH2eEDyZFm
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  biotite/structure/info/__init__.py,sha256=D1ure7j8lAfbLGqQricxHLuiDHf0FLzV_p4m5rd0dPQ,722
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  biotite/structure/info/atom_masses.json,sha256=DJ2YMCN4Fvn0zzT91N6TotoLMPm_EkeOF23Yjb5mvGg,2504
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- biotite/structure/info/atoms.py,sha256=rBmzMqUffYmKuQVVHFEz-SaaFSrsRSLFoMwa8dzYYZg,3100
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+ biotite/structure/info/atoms.py,sha256=cjswMLpmM6Vv9A944oR9WLZkQV9uFEZY4x1c-2MmxR4,3369
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  biotite/structure/info/ccd.py,sha256=o0Jb7YYJbYpyljfNGiqXF6bXP7IUlCY3cRMQj1EyWvg,6051
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- biotite/structure/info/components.bcif,sha256=ouff7fpRp47Fq6CYsKBZlLpHkaN6x6X6q-dVnRs7uro,59990720
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+ biotite/structure/info/components.bcif,sha256=mQrO6PEOkPNw2i1DHp5qugNyDx0g-2d_uV-T4KD1bwI,62070945
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  biotite/structure/info/masses.py,sha256=s8heq0bG33-6NTeRqA2WpoOqUy-mwQTfM5a7CWA0YE0,4676
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