biotite 1.6.0__cp314-cp314-win_amd64.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.
Files changed (354) hide show
  1. biotite/__init__.py +18 -0
  2. biotite/application/__init__.py +69 -0
  3. biotite/application/application.py +276 -0
  4. biotite/application/autodock/__init__.py +12 -0
  5. biotite/application/autodock/app.py +500 -0
  6. biotite/application/blast/__init__.py +14 -0
  7. biotite/application/blast/alignment.py +92 -0
  8. biotite/application/blast/webapp.py +426 -0
  9. biotite/application/clustalo/__init__.py +12 -0
  10. biotite/application/clustalo/app.py +223 -0
  11. biotite/application/dssp/__init__.py +12 -0
  12. biotite/application/dssp/app.py +216 -0
  13. biotite/application/localapp.py +342 -0
  14. biotite/application/mafft/__init__.py +12 -0
  15. biotite/application/mafft/app.py +116 -0
  16. biotite/application/msaapp.py +363 -0
  17. biotite/application/muscle/__init__.py +13 -0
  18. biotite/application/muscle/app3.py +227 -0
  19. biotite/application/muscle/app5.py +163 -0
  20. biotite/application/sra/__init__.py +18 -0
  21. biotite/application/sra/app.py +447 -0
  22. biotite/application/tantan/__init__.py +12 -0
  23. biotite/application/tantan/app.py +199 -0
  24. biotite/application/util.py +77 -0
  25. biotite/application/viennarna/__init__.py +18 -0
  26. biotite/application/viennarna/rnaalifold.py +310 -0
  27. biotite/application/viennarna/rnafold.py +254 -0
  28. biotite/application/viennarna/rnaplot.py +208 -0
  29. biotite/application/viennarna/util.py +77 -0
  30. biotite/application/webapp.py +76 -0
  31. biotite/copyable.py +71 -0
  32. biotite/database/__init__.py +23 -0
  33. biotite/database/afdb/__init__.py +12 -0
  34. biotite/database/afdb/download.py +202 -0
  35. biotite/database/entrez/__init__.py +15 -0
  36. biotite/database/entrez/check.py +66 -0
  37. biotite/database/entrez/dbnames.py +101 -0
  38. biotite/database/entrez/download.py +224 -0
  39. biotite/database/entrez/key.py +44 -0
  40. biotite/database/entrez/query.py +263 -0
  41. biotite/database/error.py +16 -0
  42. biotite/database/pubchem/__init__.py +21 -0
  43. biotite/database/pubchem/download.py +259 -0
  44. biotite/database/pubchem/error.py +30 -0
  45. biotite/database/pubchem/query.py +819 -0
  46. biotite/database/pubchem/throttle.py +98 -0
  47. biotite/database/rcsb/__init__.py +13 -0
  48. biotite/database/rcsb/download.py +191 -0
  49. biotite/database/rcsb/query.py +963 -0
  50. biotite/database/uniprot/__init__.py +13 -0
  51. biotite/database/uniprot/check.py +40 -0
  52. biotite/database/uniprot/download.py +127 -0
  53. biotite/database/uniprot/query.py +292 -0
  54. biotite/file.py +244 -0
  55. biotite/interface/__init__.py +19 -0
  56. biotite/interface/openmm/__init__.py +20 -0
  57. biotite/interface/openmm/state.py +93 -0
  58. biotite/interface/openmm/system.py +227 -0
  59. biotite/interface/pymol/__init__.py +201 -0
  60. biotite/interface/pymol/cgo.py +346 -0
  61. biotite/interface/pymol/convert.py +185 -0
  62. biotite/interface/pymol/display.py +267 -0
  63. biotite/interface/pymol/object.py +1228 -0
  64. biotite/interface/pymol/shapes.py +178 -0
  65. biotite/interface/pymol/startup.py +169 -0
  66. biotite/interface/rdkit/__init__.py +19 -0
  67. biotite/interface/rdkit/mol.py +491 -0
  68. biotite/interface/version.py +94 -0
  69. biotite/interface/warning.py +19 -0
  70. biotite/sequence/__init__.py +84 -0
  71. biotite/sequence/align/__init__.py +199 -0
  72. biotite/sequence/align/alignment.py +763 -0
  73. biotite/sequence/align/banded.cp314-win_amd64.pyd +0 -0
  74. biotite/sequence/align/banded.pyx +652 -0
  75. biotite/sequence/align/buckets.py +71 -0
  76. biotite/sequence/align/cigar.py +425 -0
  77. biotite/sequence/align/kmeralphabet.cp314-win_amd64.pyd +0 -0
  78. biotite/sequence/align/kmeralphabet.pyx +595 -0
  79. biotite/sequence/align/kmersimilarity.cp314-win_amd64.pyd +0 -0
  80. biotite/sequence/align/kmersimilarity.pyx +233 -0
  81. biotite/sequence/align/kmertable.cp314-win_amd64.pyd +0 -0
  82. biotite/sequence/align/kmertable.pyx +3411 -0
  83. biotite/sequence/align/localgapped.cp314-win_amd64.pyd +0 -0
  84. biotite/sequence/align/localgapped.pyx +892 -0
  85. biotite/sequence/align/localungapped.cp314-win_amd64.pyd +0 -0
  86. biotite/sequence/align/localungapped.pyx +279 -0
  87. biotite/sequence/align/matrix.py +631 -0
  88. biotite/sequence/align/matrix_data/3Di.mat +24 -0
  89. biotite/sequence/align/matrix_data/BLOSUM100.mat +31 -0
  90. biotite/sequence/align/matrix_data/BLOSUM30.mat +31 -0
  91. biotite/sequence/align/matrix_data/BLOSUM35.mat +31 -0
  92. biotite/sequence/align/matrix_data/BLOSUM40.mat +31 -0
  93. biotite/sequence/align/matrix_data/BLOSUM45.mat +31 -0
  94. biotite/sequence/align/matrix_data/BLOSUM50.mat +31 -0
  95. biotite/sequence/align/matrix_data/BLOSUM50_13p.mat +25 -0
  96. biotite/sequence/align/matrix_data/BLOSUM50_14.3.mat +25 -0
  97. biotite/sequence/align/matrix_data/BLOSUM50_5.0.mat +25 -0
  98. biotite/sequence/align/matrix_data/BLOSUM55.mat +31 -0
  99. biotite/sequence/align/matrix_data/BLOSUM60.mat +31 -0
  100. biotite/sequence/align/matrix_data/BLOSUM62.mat +31 -0
  101. biotite/sequence/align/matrix_data/BLOSUM62_13p.mat +25 -0
  102. biotite/sequence/align/matrix_data/BLOSUM62_14.3.mat +25 -0
  103. biotite/sequence/align/matrix_data/BLOSUM62_5.0.mat +25 -0
  104. biotite/sequence/align/matrix_data/BLOSUM65.mat +31 -0
  105. biotite/sequence/align/matrix_data/BLOSUM70.mat +31 -0
  106. biotite/sequence/align/matrix_data/BLOSUM75.mat +31 -0
  107. biotite/sequence/align/matrix_data/BLOSUM80.mat +31 -0
  108. biotite/sequence/align/matrix_data/BLOSUM85.mat +31 -0
  109. biotite/sequence/align/matrix_data/BLOSUM90.mat +31 -0
  110. biotite/sequence/align/matrix_data/BLOSUMN.mat +31 -0
  111. biotite/sequence/align/matrix_data/CorBLOSUM49_5.0.mat +25 -0
  112. biotite/sequence/align/matrix_data/CorBLOSUM57_13p.mat +25 -0
  113. biotite/sequence/align/matrix_data/CorBLOSUM57_14.3.mat +25 -0
  114. biotite/sequence/align/matrix_data/CorBLOSUM61_5.0.mat +25 -0
  115. biotite/sequence/align/matrix_data/CorBLOSUM66_13p.mat +25 -0
  116. biotite/sequence/align/matrix_data/CorBLOSUM67_14.3.mat +25 -0
  117. biotite/sequence/align/matrix_data/DAYHOFF.mat +32 -0
  118. biotite/sequence/align/matrix_data/GONNET.mat +26 -0
  119. biotite/sequence/align/matrix_data/IDENTITY.mat +25 -0
  120. biotite/sequence/align/matrix_data/MATCH.mat +25 -0
  121. biotite/sequence/align/matrix_data/NUC.mat +25 -0
  122. biotite/sequence/align/matrix_data/PAM10.mat +34 -0
  123. biotite/sequence/align/matrix_data/PAM100.mat +34 -0
  124. biotite/sequence/align/matrix_data/PAM110.mat +34 -0
  125. biotite/sequence/align/matrix_data/PAM120.mat +34 -0
  126. biotite/sequence/align/matrix_data/PAM130.mat +34 -0
  127. biotite/sequence/align/matrix_data/PAM140.mat +34 -0
  128. biotite/sequence/align/matrix_data/PAM150.mat +34 -0
  129. biotite/sequence/align/matrix_data/PAM160.mat +34 -0
  130. biotite/sequence/align/matrix_data/PAM170.mat +34 -0
  131. biotite/sequence/align/matrix_data/PAM180.mat +34 -0
  132. biotite/sequence/align/matrix_data/PAM190.mat +34 -0
  133. biotite/sequence/align/matrix_data/PAM20.mat +34 -0
  134. biotite/sequence/align/matrix_data/PAM200.mat +34 -0
  135. biotite/sequence/align/matrix_data/PAM210.mat +34 -0
  136. biotite/sequence/align/matrix_data/PAM220.mat +34 -0
  137. biotite/sequence/align/matrix_data/PAM230.mat +34 -0
  138. biotite/sequence/align/matrix_data/PAM240.mat +34 -0
  139. biotite/sequence/align/matrix_data/PAM250.mat +34 -0
  140. biotite/sequence/align/matrix_data/PAM260.mat +34 -0
  141. biotite/sequence/align/matrix_data/PAM270.mat +34 -0
  142. biotite/sequence/align/matrix_data/PAM280.mat +34 -0
  143. biotite/sequence/align/matrix_data/PAM290.mat +34 -0
  144. biotite/sequence/align/matrix_data/PAM30.mat +34 -0
  145. biotite/sequence/align/matrix_data/PAM300.mat +34 -0
  146. biotite/sequence/align/matrix_data/PAM310.mat +34 -0
  147. biotite/sequence/align/matrix_data/PAM320.mat +34 -0
  148. biotite/sequence/align/matrix_data/PAM330.mat +34 -0
  149. biotite/sequence/align/matrix_data/PAM340.mat +34 -0
  150. biotite/sequence/align/matrix_data/PAM350.mat +34 -0
  151. biotite/sequence/align/matrix_data/PAM360.mat +34 -0
  152. biotite/sequence/align/matrix_data/PAM370.mat +34 -0
  153. biotite/sequence/align/matrix_data/PAM380.mat +34 -0
  154. biotite/sequence/align/matrix_data/PAM390.mat +34 -0
  155. biotite/sequence/align/matrix_data/PAM40.mat +34 -0
  156. biotite/sequence/align/matrix_data/PAM400.mat +34 -0
  157. biotite/sequence/align/matrix_data/PAM410.mat +34 -0
  158. biotite/sequence/align/matrix_data/PAM420.mat +34 -0
  159. biotite/sequence/align/matrix_data/PAM430.mat +34 -0
  160. biotite/sequence/align/matrix_data/PAM440.mat +34 -0
  161. biotite/sequence/align/matrix_data/PAM450.mat +34 -0
  162. biotite/sequence/align/matrix_data/PAM460.mat +34 -0
  163. biotite/sequence/align/matrix_data/PAM470.mat +34 -0
  164. biotite/sequence/align/matrix_data/PAM480.mat +34 -0
  165. biotite/sequence/align/matrix_data/PAM490.mat +34 -0
  166. biotite/sequence/align/matrix_data/PAM50.mat +34 -0
  167. biotite/sequence/align/matrix_data/PAM500.mat +34 -0
  168. biotite/sequence/align/matrix_data/PAM60.mat +34 -0
  169. biotite/sequence/align/matrix_data/PAM70.mat +34 -0
  170. biotite/sequence/align/matrix_data/PAM80.mat +34 -0
  171. biotite/sequence/align/matrix_data/PAM90.mat +34 -0
  172. biotite/sequence/align/matrix_data/PB.license +21 -0
  173. biotite/sequence/align/matrix_data/PB.mat +18 -0
  174. biotite/sequence/align/matrix_data/RBLOSUM52_5.0.mat +25 -0
  175. biotite/sequence/align/matrix_data/RBLOSUM59_13p.mat +25 -0
  176. biotite/sequence/align/matrix_data/RBLOSUM59_14.3.mat +25 -0
  177. biotite/sequence/align/matrix_data/RBLOSUM64_5.0.mat +25 -0
  178. biotite/sequence/align/matrix_data/RBLOSUM69_13p.mat +25 -0
  179. biotite/sequence/align/matrix_data/RBLOSUM69_14.3.mat +25 -0
  180. biotite/sequence/align/multiple.cp314-win_amd64.pyd +0 -0
  181. biotite/sequence/align/multiple.pyx +619 -0
  182. biotite/sequence/align/pairwise.cp314-win_amd64.pyd +0 -0
  183. biotite/sequence/align/pairwise.pyx +585 -0
  184. biotite/sequence/align/permutation.cp314-win_amd64.pyd +0 -0
  185. biotite/sequence/align/permutation.pyx +313 -0
  186. biotite/sequence/align/primes.txt +821 -0
  187. biotite/sequence/align/selector.cp314-win_amd64.pyd +0 -0
  188. biotite/sequence/align/selector.pyx +954 -0
  189. biotite/sequence/align/statistics.py +264 -0
  190. biotite/sequence/align/tracetable.cp314-win_amd64.pyd +0 -0
  191. biotite/sequence/align/tracetable.pxd +64 -0
  192. biotite/sequence/align/tracetable.pyx +370 -0
  193. biotite/sequence/alphabet.py +555 -0
  194. biotite/sequence/annotation.py +836 -0
  195. biotite/sequence/codec.cp314-win_amd64.pyd +0 -0
  196. biotite/sequence/codec.pyx +155 -0
  197. biotite/sequence/codon.py +476 -0
  198. biotite/sequence/codon_tables.txt +202 -0
  199. biotite/sequence/graphics/__init__.py +33 -0
  200. biotite/sequence/graphics/alignment.py +1101 -0
  201. biotite/sequence/graphics/color_schemes/3di_flower.json +48 -0
  202. biotite/sequence/graphics/color_schemes/autumn.json +51 -0
  203. biotite/sequence/graphics/color_schemes/blossom.json +51 -0
  204. biotite/sequence/graphics/color_schemes/clustalx_dna.json +11 -0
  205. biotite/sequence/graphics/color_schemes/clustalx_protein.json +28 -0
  206. biotite/sequence/graphics/color_schemes/flower.json +51 -0
  207. biotite/sequence/graphics/color_schemes/jalview_buried.json +31 -0
  208. biotite/sequence/graphics/color_schemes/jalview_hydrophobicity.json +31 -0
  209. biotite/sequence/graphics/color_schemes/jalview_prop_helix.json +31 -0
  210. biotite/sequence/graphics/color_schemes/jalview_prop_strand.json +31 -0
  211. biotite/sequence/graphics/color_schemes/jalview_prop_turn.json +31 -0
  212. biotite/sequence/graphics/color_schemes/jalview_taylor.json +28 -0
  213. biotite/sequence/graphics/color_schemes/jalview_zappo.json +28 -0
  214. biotite/sequence/graphics/color_schemes/ocean.json +51 -0
  215. biotite/sequence/graphics/color_schemes/pb_flower.json +40 -0
  216. biotite/sequence/graphics/color_schemes/rainbow_dna.json +11 -0
  217. biotite/sequence/graphics/color_schemes/rainbow_protein.json +30 -0
  218. biotite/sequence/graphics/color_schemes/spring.json +51 -0
  219. biotite/sequence/graphics/color_schemes/sunset.json +51 -0
  220. biotite/sequence/graphics/color_schemes/wither.json +51 -0
  221. biotite/sequence/graphics/colorschemes.py +170 -0
  222. biotite/sequence/graphics/dendrogram.py +231 -0
  223. biotite/sequence/graphics/features.py +544 -0
  224. biotite/sequence/graphics/logo.py +102 -0
  225. biotite/sequence/graphics/plasmid.py +712 -0
  226. biotite/sequence/io/__init__.py +12 -0
  227. biotite/sequence/io/fasta/__init__.py +22 -0
  228. biotite/sequence/io/fasta/convert.py +462 -0
  229. biotite/sequence/io/fasta/file.py +265 -0
  230. biotite/sequence/io/fastq/__init__.py +19 -0
  231. biotite/sequence/io/fastq/convert.py +117 -0
  232. biotite/sequence/io/fastq/file.py +507 -0
  233. biotite/sequence/io/genbank/__init__.py +17 -0
  234. biotite/sequence/io/genbank/annotation.py +269 -0
  235. biotite/sequence/io/genbank/file.py +573 -0
  236. biotite/sequence/io/genbank/metadata.py +336 -0
  237. biotite/sequence/io/genbank/sequence.py +173 -0
  238. biotite/sequence/io/general.py +201 -0
  239. biotite/sequence/io/gff/__init__.py +26 -0
  240. biotite/sequence/io/gff/convert.py +128 -0
  241. biotite/sequence/io/gff/file.py +449 -0
  242. biotite/sequence/phylo/__init__.py +36 -0
  243. biotite/sequence/phylo/nj.cp314-win_amd64.pyd +0 -0
  244. biotite/sequence/phylo/nj.pyx +221 -0
  245. biotite/sequence/phylo/tree.cp314-win_amd64.pyd +0 -0
  246. biotite/sequence/phylo/tree.pyx +1169 -0
  247. biotite/sequence/phylo/upgma.cp314-win_amd64.pyd +0 -0
  248. biotite/sequence/phylo/upgma.pyx +164 -0
  249. biotite/sequence/profile.py +561 -0
  250. biotite/sequence/search.py +117 -0
  251. biotite/sequence/seqtypes.py +720 -0
  252. biotite/sequence/sequence.py +373 -0
  253. biotite/setup_ccd.py +197 -0
  254. biotite/structure/__init__.py +135 -0
  255. biotite/structure/alphabet/__init__.py +25 -0
  256. biotite/structure/alphabet/encoder.py +332 -0
  257. biotite/structure/alphabet/encoder_weights_3di.kerasify +0 -0
  258. biotite/structure/alphabet/i3d.py +109 -0
  259. biotite/structure/alphabet/layers.py +86 -0
  260. biotite/structure/alphabet/pb.license +21 -0
  261. biotite/structure/alphabet/pb.py +170 -0
  262. biotite/structure/alphabet/unkerasify.py +128 -0
  263. biotite/structure/atoms.py +1596 -0
  264. biotite/structure/basepairs.py +1403 -0
  265. biotite/structure/bonds.cp314-win_amd64.pyd +0 -0
  266. biotite/structure/bonds.pyx +2036 -0
  267. biotite/structure/box.py +724 -0
  268. biotite/structure/celllist.cp314-win_amd64.pyd +0 -0
  269. biotite/structure/celllist.pyx +864 -0
  270. biotite/structure/chains.py +310 -0
  271. biotite/structure/charges.cp314-win_amd64.pyd +0 -0
  272. biotite/structure/charges.pyx +521 -0
  273. biotite/structure/compare.py +683 -0
  274. biotite/structure/density.py +109 -0
  275. biotite/structure/dotbracket.py +213 -0
  276. biotite/structure/error.py +39 -0
  277. biotite/structure/filter.py +646 -0
  278. biotite/structure/geometry.py +817 -0
  279. biotite/structure/graphics/__init__.py +13 -0
  280. biotite/structure/graphics/atoms.py +243 -0
  281. biotite/structure/graphics/rna.py +298 -0
  282. biotite/structure/hbond.py +426 -0
  283. biotite/structure/info/__init__.py +24 -0
  284. biotite/structure/info/atom_masses.json +121 -0
  285. biotite/structure/info/atoms.py +98 -0
  286. biotite/structure/info/bonds.py +149 -0
  287. biotite/structure/info/ccd.py +200 -0
  288. biotite/structure/info/components.bcif +0 -0
  289. biotite/structure/info/groups.py +128 -0
  290. biotite/structure/info/masses.py +121 -0
  291. biotite/structure/info/misc.py +137 -0
  292. biotite/structure/info/radii.py +267 -0
  293. biotite/structure/info/standardize.py +185 -0
  294. biotite/structure/integrity.py +213 -0
  295. biotite/structure/io/__init__.py +29 -0
  296. biotite/structure/io/dcd/__init__.py +13 -0
  297. biotite/structure/io/dcd/file.py +67 -0
  298. biotite/structure/io/general.py +243 -0
  299. biotite/structure/io/gro/__init__.py +14 -0
  300. biotite/structure/io/gro/file.py +343 -0
  301. biotite/structure/io/mol/__init__.py +20 -0
  302. biotite/structure/io/mol/convert.py +112 -0
  303. biotite/structure/io/mol/ctab.py +420 -0
  304. biotite/structure/io/mol/header.py +120 -0
  305. biotite/structure/io/mol/mol.py +149 -0
  306. biotite/structure/io/mol/sdf.py +940 -0
  307. biotite/structure/io/netcdf/__init__.py +13 -0
  308. biotite/structure/io/netcdf/file.py +64 -0
  309. biotite/structure/io/pdb/__init__.py +20 -0
  310. biotite/structure/io/pdb/convert.py +389 -0
  311. biotite/structure/io/pdb/file.py +1380 -0
  312. biotite/structure/io/pdb/hybrid36.cp314-win_amd64.pyd +0 -0
  313. biotite/structure/io/pdb/hybrid36.pyx +242 -0
  314. biotite/structure/io/pdbqt/__init__.py +15 -0
  315. biotite/structure/io/pdbqt/convert.py +113 -0
  316. biotite/structure/io/pdbqt/file.py +688 -0
  317. biotite/structure/io/pdbx/__init__.py +23 -0
  318. biotite/structure/io/pdbx/bcif.py +674 -0
  319. biotite/structure/io/pdbx/cif.py +1091 -0
  320. biotite/structure/io/pdbx/component.py +251 -0
  321. biotite/structure/io/pdbx/compress.py +362 -0
  322. biotite/structure/io/pdbx/convert.py +2122 -0
  323. biotite/structure/io/pdbx/encoding.cp314-win_amd64.pyd +0 -0
  324. biotite/structure/io/pdbx/encoding.pyx +1078 -0
  325. biotite/structure/io/trajfile.py +696 -0
  326. biotite/structure/io/trr/__init__.py +13 -0
  327. biotite/structure/io/trr/file.py +43 -0
  328. biotite/structure/io/util.py +38 -0
  329. biotite/structure/io/xtc/__init__.py +13 -0
  330. biotite/structure/io/xtc/file.py +43 -0
  331. biotite/structure/mechanics.py +72 -0
  332. biotite/structure/molecules.py +337 -0
  333. biotite/structure/pseudoknots.py +622 -0
  334. biotite/structure/rdf.py +245 -0
  335. biotite/structure/repair.py +302 -0
  336. biotite/structure/residues.py +716 -0
  337. biotite/structure/rings.py +452 -0
  338. biotite/structure/sasa.cp314-win_amd64.pyd +0 -0
  339. biotite/structure/sasa.pyx +322 -0
  340. biotite/structure/segments.py +328 -0
  341. biotite/structure/sequence.py +110 -0
  342. biotite/structure/spacegroups.json +1567 -0
  343. biotite/structure/spacegroups.license +26 -0
  344. biotite/structure/sse.py +306 -0
  345. biotite/structure/superimpose.py +511 -0
  346. biotite/structure/tm.py +581 -0
  347. biotite/structure/transform.py +736 -0
  348. biotite/structure/util.py +160 -0
  349. biotite/version.py +34 -0
  350. biotite/visualize.py +375 -0
  351. biotite-1.6.0.dist-info/METADATA +162 -0
  352. biotite-1.6.0.dist-info/RECORD +354 -0
  353. biotite-1.6.0.dist-info/WHEEL +4 -0
  354. biotite-1.6.0.dist-info/licenses/LICENSE.rst +30 -0
@@ -0,0 +1,162 @@
1
+ Metadata-Version: 2.4
2
+ Name: biotite
3
+ Version: 1.6.0
4
+ Summary: A comprehensive library for computational molecular biology
5
+ Project-URL: homepage, https://www.biotite-python.org
6
+ Project-URL: repository, https://github.com/biotite-dev/biotite
7
+ Project-URL: documentation, https://www.biotite-python.org
8
+ Author: The Biotite contributors
9
+ License-Expression: BSD-3-Clause
10
+ License-File: LICENSE.rst
11
+ Classifier: Development Status :: 5 - Production/Stable
12
+ Classifier: Intended Audience :: Developers
13
+ Classifier: Intended Audience :: Science/Research
14
+ Classifier: Natural Language :: English
15
+ Classifier: Operating System :: MacOS
16
+ Classifier: Operating System :: Microsoft :: Windows
17
+ Classifier: Operating System :: POSIX :: Linux
18
+ Classifier: Programming Language :: Python :: 3
19
+ Classifier: Programming Language :: Python :: Implementation :: CPython
20
+ Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
21
+ Requires-Python: >=3.11
22
+ Requires-Dist: biotraj<2.0,>=1.0
23
+ Requires-Dist: msgpack>=0.5.6
24
+ Requires-Dist: networkx>=2.0
25
+ Requires-Dist: numpy>=1.25
26
+ Requires-Dist: packaging>=24.0
27
+ Requires-Dist: requests>=2.12
28
+ Provides-Extra: lint
29
+ Requires-Dist: numpydoc==1.8.0; extra == 'lint'
30
+ Requires-Dist: ruff==0.9.7; extra == 'lint'
31
+ Provides-Extra: test
32
+ Requires-Dist: pytest; extra == 'test'
33
+ Requires-Dist: pytest-codspeed; extra == 'test'
34
+ Description-Content-Type: text/x-rst
35
+
36
+ .. image:: https://img.shields.io/pypi/v/biotite.svg
37
+ :target: https://pypi.python.org/pypi/biotite
38
+ :alt: Biotite at PyPI
39
+ .. image:: https://img.shields.io/pypi/pyversions/biotite.svg
40
+ :alt: Python version
41
+ .. image:: https://github.com/biotite-dev/biotite/actions/workflows/test_and_deploy.yml/badge.svg
42
+ :target: https://github.com/biotite-dev/biotite/actions/workflows/test_and_deploy.yml
43
+ :alt: Test status
44
+
45
+ .. image:: https://www.biotite-python.org/_static/assets/general/biotite_logo_m.png
46
+ :alt: The Biotite Project
47
+
48
+ Biotite project
49
+ ===============
50
+
51
+ *Biotite* is your Swiss army knife for bioinformatics.
52
+ Whether you want to identify homologous sequence regions in a protein family
53
+ or you would like to find disulfide bonds in a protein structure: *Biotite*
54
+ has the right tool for you.
55
+ This package bundles popular tasks in computational molecular biology
56
+ into a uniform *Python* library.
57
+ It can handle a major part of the typical workflow
58
+ for sequence and biomolecular structure data:
59
+
60
+ - Searching and fetching data from biological databases
61
+ - Reading and writing popular sequence/structure file formats
62
+ - Analyzing and editing sequence/structure data
63
+ - Visualizing sequence/structure data
64
+ - Interfacing external applications for further analysis
65
+
66
+ *Biotite* internally stores most of the data as *NumPy* `ndarray` objects,
67
+ enabling
68
+
69
+ - fast C-accelerated analysis,
70
+ - intuitive usability through *NumPy*-like indexing syntax,
71
+ - extensibility through direct access of the internal *NumPy* arrays.
72
+
73
+ As a result the user can skip writing code for basic functionality (like
74
+ file parsers) and can focus on what their code makes unique - from
75
+ small analysis scripts to entire bioinformatics software packages.
76
+
77
+ If you use *Biotite* in a scientific publication, please cite:
78
+
79
+ | Kunzmann, P. & Hamacher, K. BMC Bioinformatics (2018) 19:346.
80
+ | `<https://doi.org/10.1186/s12859-018-2367-z>`_
81
+
82
+
83
+ Installation
84
+ ------------
85
+
86
+ *Biotite* requires the following packages:
87
+
88
+ - **numpy**
89
+ - **requests**
90
+ - **msgpack**
91
+ - **networkx**
92
+
93
+ Some functions require some extra packages:
94
+
95
+ - **matplotlib** - Required for plotting purposes.
96
+
97
+ *Biotite* can be installed via *Conda*...
98
+
99
+ .. code-block:: console
100
+
101
+ $ conda install -c conda-forge biotite
102
+
103
+ ... or *pip*
104
+
105
+ .. code-block:: console
106
+
107
+ $ pip install biotite
108
+
109
+
110
+ Usage
111
+ -----
112
+
113
+ Here is a small example that downloads two protein sequences from the
114
+ *NCBI Entrez* database and aligns them:
115
+
116
+ .. code-block:: python
117
+
118
+ import biotite.sequence.align as align
119
+ import biotite.sequence.io.fasta as fasta
120
+ import biotite.database.entrez as entrez
121
+
122
+ # Download FASTA file for the sequences of avidin and streptavidin
123
+ file_name = entrez.fetch_single_file(
124
+ uids=["CAC34569", "ACL82594"], file_name="sequences.fasta",
125
+ db_name="protein", ret_type="fasta"
126
+ )
127
+
128
+ # Parse the downloaded FASTA file
129
+ # and create 'ProteinSequence' objects from it
130
+ fasta_file = fasta.FastaFile.read(file_name)
131
+ avidin_seq, streptavidin_seq = fasta.get_sequences(fasta_file).values()
132
+
133
+ # Align sequences using the BLOSUM62 matrix with affine gap penalty
134
+ matrix = align.SubstitutionMatrix.std_protein_matrix()
135
+ alignments = align.align_optimal(
136
+ avidin_seq, streptavidin_seq, matrix,
137
+ gap_penalty=(-10, -1), terminal_penalty=False
138
+ )
139
+ print(alignments[0])
140
+
141
+ .. code-block::
142
+
143
+ MVHATSPLLLLLLLSLALVAPGLSAR------KCSLTGKWDNDLGSNMTIGAVNSKGEFTGTYTTAV-TA
144
+ -------------------DPSKESKAQAAVAEAGITGTWYNQLGSTFIVTA-NPDGSLTGTYESAVGNA
145
+
146
+ TSNEIKESPLHGTQNTINKRTQPTFGFTVNWKFS----ESTTVFTGQCFIDRNGKEV-LKTMWLLRSSVN
147
+ ESRYVLTGRYDSTPATDGSGT--ALGWTVAWKNNYRNAHSATTWSGQYV---GGAEARINTQWLLTSGTT
148
+
149
+ DIGDDWKATRVGINIFTRLRTQKE---------------------
150
+ -AANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
151
+
152
+ More documentation, including a tutorial, an example gallery and the API
153
+ reference is available at `<https://www.biotite-python.org/>`_.
154
+
155
+
156
+ Contribution
157
+ ------------
158
+
159
+ Interested in improving *Biotite*?
160
+ Have a look at the
161
+ `contribution guidelines <https://www.biotite-python.org/latest/contribution/index.html>`_.
162
+ Feel free to join our community chat on `Discord <https://discord.gg/cUjDguF>`_.
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+ BSD 3-Clause License
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+ --------------------
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+
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+ Copyright 2017, The Biotite contributors
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+ All rights reserved.
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+
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+ Redistribution and use in source and binary forms, with or without modification,
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+ are permitted provided that the following conditions are met:
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+
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+ 1. Redistributions of source code must retain the above copyright notice, this
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+ list of conditions and the following disclaimer.
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+
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+ 2. Redistributions in binary form must reproduce the above copyright notice,
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+ this list of conditions and the following disclaimer in the documentation and/or
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+ other materials provided with the distribution.
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+
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+ 3. Neither the name of the copyright holder nor the names of its contributors
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+ may be used to endorse or promote products derived from this software without
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+ specific prior written permission.
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+
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+ THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
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+ ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
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+ WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
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+ DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
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+ ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
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+ (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
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+ LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
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+ ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
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+ (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
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+ SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.