bio 1.0.0 → 1.1.0

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Files changed (340) hide show
  1. data/bin/bioruby +14 -122
  2. data/bin/br_biofetch.rb +2 -2
  3. data/bin/br_bioflat.rb +2 -2
  4. data/bin/br_biogetseq.rb +2 -2
  5. data/bin/br_pmfetch.rb +3 -3
  6. data/doc/Changes-0.7.rd +77 -0
  7. data/doc/KEGG_API.rd +523 -232
  8. data/doc/KEGG_API.rd.ja +529 -207
  9. data/doc/Tutorial.rd +48 -11
  10. data/lib/bio.rb +59 -6
  11. data/lib/bio/alignment.rb +713 -103
  12. data/lib/bio/appl/bl2seq/report.rb +2 -18
  13. data/lib/bio/appl/blast.rb +108 -91
  14. data/lib/bio/appl/blast/format0.rb +33 -18
  15. data/lib/bio/appl/blast/format8.rb +6 -20
  16. data/lib/bio/appl/blast/report.rb +293 -429
  17. data/lib/bio/appl/blast/rexml.rb +8 -22
  18. data/lib/bio/appl/blast/wublast.rb +21 -12
  19. data/lib/bio/appl/blast/xmlparser.rb +180 -183
  20. data/lib/bio/appl/blat/report.rb +127 -30
  21. data/lib/bio/appl/clustalw.rb +87 -59
  22. data/lib/bio/appl/clustalw/report.rb +20 -22
  23. data/lib/bio/appl/emboss.rb +113 -20
  24. data/lib/bio/appl/fasta.rb +173 -198
  25. data/lib/bio/appl/fasta/format10.rb +244 -347
  26. data/lib/bio/appl/gcg/msf.rb +212 -0
  27. data/lib/bio/appl/gcg/seq.rb +195 -0
  28. data/lib/bio/appl/genscan/report.rb +5 -23
  29. data/lib/bio/appl/hmmer.rb +8 -45
  30. data/lib/bio/appl/hmmer/report.rb +2 -20
  31. data/lib/bio/appl/iprscan/report.rb +374 -0
  32. data/lib/bio/appl/mafft.rb +87 -50
  33. data/lib/bio/appl/mafft/report.rb +151 -44
  34. data/lib/bio/appl/muscle.rb +52 -0
  35. data/lib/bio/appl/phylip/alignment.rb +129 -0
  36. data/lib/bio/appl/phylip/distance_matrix.rb +96 -0
  37. data/lib/bio/appl/probcons.rb +41 -0
  38. data/lib/bio/appl/psort.rb +89 -96
  39. data/lib/bio/appl/psort/report.rb +6 -22
  40. data/lib/bio/appl/pts1.rb +263 -0
  41. data/lib/bio/appl/sim4.rb +26 -36
  42. data/lib/bio/appl/sim4/report.rb +2 -18
  43. data/lib/bio/appl/sosui/report.rb +5 -20
  44. data/lib/bio/appl/spidey/report.rb +2 -2
  45. data/lib/bio/appl/targetp/report.rb +4 -20
  46. data/lib/bio/appl/tcoffee.rb +55 -0
  47. data/lib/bio/appl/tmhmm/report.rb +4 -20
  48. data/lib/bio/command.rb +235 -64
  49. data/lib/bio/data/aa.rb +21 -26
  50. data/lib/bio/data/codontable.rb +2 -20
  51. data/lib/bio/data/na.rb +19 -4
  52. data/lib/bio/db.rb +27 -12
  53. data/lib/bio/db/aaindex.rb +2 -20
  54. data/lib/bio/db/embl/common.rb +4 -21
  55. data/lib/bio/db/embl/embl.rb +33 -85
  56. data/lib/bio/db/embl/sptr.rb +612 -302
  57. data/lib/bio/db/embl/swissprot.rb +10 -29
  58. data/lib/bio/db/embl/trembl.rb +10 -29
  59. data/lib/bio/db/embl/uniprot.rb +10 -29
  60. data/lib/bio/db/fantom.rb +15 -20
  61. data/lib/bio/db/fasta.rb +3 -3
  62. data/lib/bio/db/genbank/common.rb +37 -46
  63. data/lib/bio/db/genbank/ddbj.rb +6 -18
  64. data/lib/bio/db/genbank/genbank.rb +47 -186
  65. data/lib/bio/db/genbank/genpept.rb +4 -17
  66. data/lib/bio/db/genbank/refseq.rb +4 -17
  67. data/lib/bio/db/gff.rb +103 -35
  68. data/lib/bio/db/go.rb +4 -20
  69. data/lib/bio/db/kegg/brite.rb +26 -36
  70. data/lib/bio/db/kegg/compound.rb +81 -85
  71. data/lib/bio/db/kegg/drug.rb +98 -0
  72. data/lib/bio/db/kegg/enzyme.rb +133 -110
  73. data/lib/bio/db/kegg/expression.rb +2 -20
  74. data/lib/bio/db/kegg/genes.rb +208 -238
  75. data/lib/bio/db/kegg/genome.rb +164 -285
  76. data/lib/bio/db/kegg/glycan.rb +114 -157
  77. data/lib/bio/db/kegg/keggtab.rb +242 -303
  78. data/lib/bio/db/kegg/kgml.rb +117 -160
  79. data/lib/bio/db/kegg/orthology.rb +112 -0
  80. data/lib/bio/db/kegg/reaction.rb +54 -69
  81. data/lib/bio/db/kegg/taxonomy.rb +331 -0
  82. data/lib/bio/db/lasergene.rb +209 -0
  83. data/lib/bio/db/litdb.rb +3 -27
  84. data/lib/bio/db/medline.rb +228 -249
  85. data/lib/bio/db/nbrf.rb +3 -3
  86. data/lib/bio/db/newick.rb +510 -0
  87. data/lib/bio/db/nexus.rb +1854 -0
  88. data/lib/bio/db/pdb.rb +5 -17
  89. data/lib/bio/db/pdb/atom.rb +2 -18
  90. data/lib/bio/db/pdb/chain.rb +2 -18
  91. data/lib/bio/db/pdb/chemicalcomponent.rb +2 -18
  92. data/lib/bio/db/pdb/model.rb +2 -18
  93. data/lib/bio/db/pdb/pdb.rb +73 -34
  94. data/lib/bio/db/pdb/residue.rb +4 -20
  95. data/lib/bio/db/pdb/utils.rb +2 -18
  96. data/lib/bio/db/prosite.rb +403 -422
  97. data/lib/bio/db/rebase.rb +84 -40
  98. data/lib/bio/db/soft.rb +404 -0
  99. data/lib/bio/db/transfac.rb +5 -17
  100. data/lib/bio/feature.rb +106 -52
  101. data/lib/bio/io/das.rb +32 -42
  102. data/lib/bio/io/dbget.rb +2 -20
  103. data/lib/bio/io/ddbjxml.rb +77 -138
  104. data/lib/bio/io/ebisoap.rb +158 -0
  105. data/lib/bio/io/ensembl.rb +229 -0
  106. data/lib/bio/io/fastacmd.rb +89 -82
  107. data/lib/bio/io/fetch.rb +163 -96
  108. data/lib/bio/io/flatfile.rb +170 -73
  109. data/lib/bio/io/flatfile/bdb.rb +3 -16
  110. data/lib/bio/io/flatfile/index.rb +2 -2
  111. data/lib/bio/io/flatfile/indexer.rb +3 -2
  112. data/lib/bio/io/higet.rb +12 -31
  113. data/lib/bio/io/keggapi.rb +210 -269
  114. data/lib/bio/io/ncbisoap.rb +155 -0
  115. data/lib/bio/io/pubmed.rb +169 -147
  116. data/lib/bio/io/registry.rb +4 -20
  117. data/lib/bio/io/soapwsdl.rb +43 -38
  118. data/lib/bio/io/sql.rb +242 -305
  119. data/lib/bio/location.rb +407 -285
  120. data/lib/bio/map.rb +410 -0
  121. data/lib/bio/pathway.rb +558 -695
  122. data/lib/bio/reference.rb +272 -75
  123. data/lib/bio/sequence.rb +255 -13
  124. data/lib/bio/sequence/aa.rb +71 -10
  125. data/lib/bio/sequence/common.rb +187 -33
  126. data/lib/bio/sequence/compat.rb +59 -4
  127. data/lib/bio/sequence/format.rb +54 -7
  128. data/lib/bio/sequence/generic.rb +3 -3
  129. data/lib/bio/sequence/na.rb +328 -26
  130. data/lib/bio/shell.rb +11 -4
  131. data/lib/bio/shell/core.rb +221 -160
  132. data/lib/bio/shell/demo.rb +18 -15
  133. data/lib/bio/shell/interface.rb +14 -12
  134. data/lib/bio/shell/irb.rb +95 -0
  135. data/lib/bio/shell/object.rb +45 -26
  136. data/lib/bio/shell/plugin/blast.rb +42 -0
  137. data/lib/bio/shell/plugin/codon.rb +22 -14
  138. data/lib/bio/shell/plugin/das.rb +58 -0
  139. data/lib/bio/shell/plugin/emboss.rb +2 -2
  140. data/lib/bio/shell/plugin/entry.rb +22 -11
  141. data/lib/bio/shell/plugin/flatfile.rb +2 -2
  142. data/lib/bio/shell/plugin/keggapi.rb +13 -6
  143. data/lib/bio/shell/plugin/midi.rb +4 -4
  144. data/lib/bio/shell/plugin/obda.rb +2 -2
  145. data/lib/bio/shell/plugin/psort.rb +56 -0
  146. data/lib/bio/shell/plugin/seq.rb +35 -8
  147. data/lib/bio/shell/plugin/soap.rb +87 -0
  148. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/bioruby_generator.rb +29 -0
  149. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/_classes.rhtml +4 -0
  150. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/_log.rhtml +27 -0
  151. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/_methods.rhtml +11 -0
  152. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/_modules.rhtml +4 -0
  153. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/_variables.rhtml +7 -0
  154. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/bioruby-bg.gif +0 -0
  155. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/bioruby-console.png +0 -0
  156. data/lib/bio/shell/rails/{public/images/icon.png → vendor/plugins/generators/bioruby/templates/bioruby-gem.png} +0 -0
  157. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/bioruby-link.gif +0 -0
  158. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/bioruby.css +369 -0
  159. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/bioruby.rhtml +47 -0
  160. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/bioruby_controller.rb +144 -0
  161. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/bioruby_helper.rb +47 -0
  162. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/commands.rhtml +8 -0
  163. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/history.rhtml +10 -0
  164. data/lib/bio/shell/rails/vendor/plugins/generators/bioruby/templates/index.rhtml +22 -0
  165. data/lib/bio/shell/script.rb +25 -0
  166. data/lib/bio/shell/setup.rb +109 -0
  167. data/lib/bio/shell/web.rb +70 -58
  168. data/lib/bio/tree.rb +850 -0
  169. data/lib/bio/util/color_scheme.rb +84 -107
  170. data/lib/bio/util/color_scheme/buried.rb +5 -24
  171. data/lib/bio/util/color_scheme/helix.rb +5 -24
  172. data/lib/bio/util/color_scheme/hydropathy.rb +5 -24
  173. data/lib/bio/util/color_scheme/nucleotide.rb +5 -24
  174. data/lib/bio/util/color_scheme/strand.rb +5 -24
  175. data/lib/bio/util/color_scheme/taylor.rb +5 -24
  176. data/lib/bio/util/color_scheme/turn.rb +5 -24
  177. data/lib/bio/util/color_scheme/zappo.rb +5 -24
  178. data/lib/bio/util/contingency_table.rb +70 -43
  179. data/lib/bio/util/restriction_enzyme.rb +228 -0
  180. data/lib/bio/util/restriction_enzyme/analysis.rb +249 -0
  181. data/lib/bio/util/restriction_enzyme/analysis_basic.rb +217 -0
  182. data/lib/bio/util/restriction_enzyme/cut_symbol.rb +107 -0
  183. data/lib/bio/util/restriction_enzyme/double_stranded.rb +321 -0
  184. data/lib/bio/util/restriction_enzyme/double_stranded/aligned_strands.rb +130 -0
  185. data/lib/bio/util/restriction_enzyme/double_stranded/cut_location_pair.rb +103 -0
  186. data/lib/bio/util/restriction_enzyme/double_stranded/cut_location_pair_in_enzyme_notation.rb +38 -0
  187. data/lib/bio/util/restriction_enzyme/double_stranded/cut_locations.rb +76 -0
  188. data/lib/bio/util/restriction_enzyme/double_stranded/cut_locations_in_enzyme_notation.rb +107 -0
  189. data/lib/bio/util/restriction_enzyme/enzymes.yaml +7061 -0
  190. data/lib/bio/util/restriction_enzyme/range/cut_range.rb +24 -0
  191. data/lib/bio/util/restriction_enzyme/range/cut_ranges.rb +47 -0
  192. data/lib/bio/util/restriction_enzyme/range/horizontal_cut_range.rb +67 -0
  193. data/lib/bio/util/restriction_enzyme/range/sequence_range.rb +257 -0
  194. data/lib/bio/util/restriction_enzyme/range/sequence_range/calculated_cuts.rb +242 -0
  195. data/lib/bio/util/restriction_enzyme/range/sequence_range/fragment.rb +51 -0
  196. data/lib/bio/util/restriction_enzyme/range/sequence_range/fragments.rb +41 -0
  197. data/lib/bio/util/restriction_enzyme/range/vertical_cut_range.rb +77 -0
  198. data/lib/bio/util/restriction_enzyme/single_strand.rb +199 -0
  199. data/lib/bio/util/restriction_enzyme/single_strand/cut_locations_in_enzyme_notation.rb +135 -0
  200. data/lib/bio/util/restriction_enzyme/single_strand_complement.rb +23 -0
  201. data/lib/bio/util/restriction_enzyme/string_formatting.rb +111 -0
  202. data/lib/bio/util/sirna.rb +4 -22
  203. data/sample/color_scheme_na.rb +4 -12
  204. data/sample/enzymes.rb +78 -0
  205. data/sample/goslim.rb +5 -13
  206. data/sample/psortplot_html.rb +4 -12
  207. data/test/data/blast/2.2.15.blastp.m7 +876 -0
  208. data/test/data/embl/AB090716.embl.rel89 +63 -0
  209. data/test/data/fasta/example1.txt +75 -0
  210. data/test/data/fasta/example2.txt +21 -0
  211. data/test/data/iprscan/merged.raw +32 -0
  212. data/test/data/iprscan/merged.txt +74 -0
  213. data/test/data/soft/GDS100_partial.soft +92 -0
  214. data/test/data/soft/GSE3457_family_partial.soft +874 -0
  215. data/test/functional/bio/io/test_ensembl.rb +103 -0
  216. data/test/functional/bio/io/test_soapwsdl.rb +5 -17
  217. data/test/unit/bio/appl/bl2seq/test_report.rb +2 -2
  218. data/test/unit/bio/appl/blast/test_report.rb +3 -16
  219. data/test/unit/bio/appl/blast/test_xmlparser.rb +4 -16
  220. data/test/unit/bio/appl/genscan/test_report.rb +3 -16
  221. data/test/unit/bio/appl/hmmer/test_report.rb +3 -16
  222. data/test/unit/bio/appl/iprscan/test_report.rb +338 -0
  223. data/test/unit/bio/appl/mafft/test_report.rb +63 -0
  224. data/test/unit/bio/appl/sosui/test_report.rb +3 -16
  225. data/test/unit/bio/appl/targetp/test_report.rb +3 -16
  226. data/test/unit/bio/appl/test_blast.rb +3 -16
  227. data/test/unit/bio/appl/test_fasta.rb +4 -16
  228. data/test/unit/bio/appl/test_pts1.rb +140 -0
  229. data/test/unit/bio/appl/tmhmm/test_report.rb +3 -16
  230. data/test/unit/bio/data/test_aa.rb +4 -17
  231. data/test/unit/bio/data/test_codontable.rb +3 -16
  232. data/test/unit/bio/data/test_na.rb +3 -3
  233. data/test/unit/bio/db/embl/test_common.rb +3 -16
  234. data/test/unit/bio/db/embl/test_embl.rb +3 -16
  235. data/test/unit/bio/db/embl/test_embl_rel89.rb +219 -0
  236. data/test/unit/bio/db/embl/test_sptr.rb +1548 -41
  237. data/test/unit/bio/db/embl/test_uniprot.rb +3 -16
  238. data/test/unit/bio/db/kegg/test_genes.rb +3 -16
  239. data/test/unit/bio/db/pdb/test_pdb.rb +7 -24
  240. data/test/unit/bio/db/test_aaindex.rb +2 -2
  241. data/test/unit/bio/db/test_fasta.rb +3 -16
  242. data/test/unit/bio/db/test_gff.rb +3 -16
  243. data/test/unit/bio/db/test_lasergene.rb +95 -0
  244. data/test/unit/bio/db/test_newick.rb +56 -0
  245. data/test/unit/bio/db/test_nexus.rb +360 -0
  246. data/test/unit/bio/db/test_prosite.rb +5 -18
  247. data/test/unit/bio/db/test_rebase.rb +11 -25
  248. data/test/unit/bio/db/test_soft.rb +138 -0
  249. data/test/unit/bio/io/test_ddbjxml.rb +5 -17
  250. data/test/unit/bio/io/test_ensembl.rb +109 -0
  251. data/test/unit/bio/io/test_fastacmd.rb +3 -16
  252. data/test/unit/bio/io/test_flatfile.rb +237 -0
  253. data/test/unit/bio/io/test_soapwsdl.rb +4 -17
  254. data/test/unit/bio/sequence/test_aa.rb +3 -3
  255. data/test/unit/bio/sequence/test_common.rb +3 -16
  256. data/test/unit/bio/sequence/test_compat.rb +3 -16
  257. data/test/unit/bio/sequence/test_na.rb +29 -3
  258. data/test/unit/bio/shell/plugin/test_seq.rb +8 -8
  259. data/test/unit/bio/test_alignment.rb +16 -27
  260. data/test/unit/bio/test_command.rb +242 -25
  261. data/test/unit/bio/test_db.rb +3 -16
  262. data/test/unit/bio/test_feature.rb +4 -16
  263. data/test/unit/bio/test_location.rb +4 -16
  264. data/test/unit/bio/test_map.rb +230 -0
  265. data/test/unit/bio/test_pathway.rb +4 -16
  266. data/test/unit/bio/test_reference.rb +2 -2
  267. data/test/unit/bio/test_sequence.rb +7 -19
  268. data/test/unit/bio/test_shell.rb +3 -16
  269. data/test/unit/bio/test_tree.rb +593 -0
  270. data/test/unit/bio/util/restriction_enzyme/analysis/test_calculated_cuts.rb +299 -0
  271. data/test/unit/bio/util/restriction_enzyme/analysis/test_cut_ranges.rb +103 -0
  272. data/test/unit/bio/util/restriction_enzyme/analysis/test_sequence_range.rb +240 -0
  273. data/test/unit/bio/util/restriction_enzyme/double_stranded/test_aligned_strands.rb +100 -0
  274. data/test/unit/bio/util/restriction_enzyme/double_stranded/test_cut_location_pair.rb +75 -0
  275. data/test/unit/bio/util/restriction_enzyme/double_stranded/test_cut_location_pair_in_enzyme_notation.rb +73 -0
  276. data/test/unit/bio/util/restriction_enzyme/double_stranded/test_cut_locations.rb +53 -0
  277. data/test/unit/bio/util/restriction_enzyme/double_stranded/test_cut_locations_in_enzyme_notation.rb +104 -0
  278. data/test/unit/bio/util/restriction_enzyme/single_strand/test_cut_locations_in_enzyme_notation.rb +83 -0
  279. data/test/unit/bio/util/restriction_enzyme/test_analysis.rb +246 -0
  280. data/test/unit/bio/util/restriction_enzyme/test_cut_symbol.rb +44 -0
  281. data/test/unit/bio/util/restriction_enzyme/test_double_stranded.rb +115 -0
  282. data/test/unit/bio/util/restriction_enzyme/test_single_strand.rb +147 -0
  283. data/test/unit/bio/util/restriction_enzyme/test_single_strand_complement.rb +147 -0
  284. data/test/unit/bio/util/restriction_enzyme/test_string_formatting.rb +60 -0
  285. data/test/unit/bio/util/test_color_scheme.rb +6 -18
  286. data/test/unit/bio/util/test_contingency_table.rb +6 -18
  287. data/test/unit/bio/util/test_restriction_enzyme.rb +42 -0
  288. data/test/unit/bio/util/test_sirna.rb +3 -16
  289. metadata +228 -169
  290. data/doc/BioRuby.rd.ja +0 -225
  291. data/doc/Design.rd.ja +0 -341
  292. data/doc/TODO.rd.ja +0 -138
  293. data/lib/bio/appl/fasta/format6.rb +0 -37
  294. data/lib/bio/db/kegg/cell.rb +0 -88
  295. data/lib/bio/db/kegg/ko.rb +0 -178
  296. data/lib/bio/shell/rails/Rakefile +0 -10
  297. data/lib/bio/shell/rails/app/controllers/application.rb +0 -4
  298. data/lib/bio/shell/rails/app/controllers/shell_controller.rb +0 -94
  299. data/lib/bio/shell/rails/app/helpers/application_helper.rb +0 -3
  300. data/lib/bio/shell/rails/app/models/shell_connection.rb +0 -30
  301. data/lib/bio/shell/rails/app/views/layouts/shell.rhtml +0 -37
  302. data/lib/bio/shell/rails/app/views/shell/history.rhtml +0 -5
  303. data/lib/bio/shell/rails/app/views/shell/index.rhtml +0 -2
  304. data/lib/bio/shell/rails/app/views/shell/show.rhtml +0 -13
  305. data/lib/bio/shell/rails/config/boot.rb +0 -19
  306. data/lib/bio/shell/rails/config/database.yml +0 -85
  307. data/lib/bio/shell/rails/config/environment.rb +0 -53
  308. data/lib/bio/shell/rails/config/environments/development.rb +0 -19
  309. data/lib/bio/shell/rails/config/environments/production.rb +0 -19
  310. data/lib/bio/shell/rails/config/environments/test.rb +0 -19
  311. data/lib/bio/shell/rails/config/routes.rb +0 -19
  312. data/lib/bio/shell/rails/doc/README_FOR_APP +0 -2
  313. data/lib/bio/shell/rails/public/404.html +0 -8
  314. data/lib/bio/shell/rails/public/500.html +0 -8
  315. data/lib/bio/shell/rails/public/dispatch.cgi +0 -10
  316. data/lib/bio/shell/rails/public/dispatch.fcgi +0 -24
  317. data/lib/bio/shell/rails/public/dispatch.rb +0 -10
  318. data/lib/bio/shell/rails/public/favicon.ico +0 -0
  319. data/lib/bio/shell/rails/public/images/rails.png +0 -0
  320. data/lib/bio/shell/rails/public/index.html +0 -277
  321. data/lib/bio/shell/rails/public/javascripts/controls.js +0 -750
  322. data/lib/bio/shell/rails/public/javascripts/dragdrop.js +0 -584
  323. data/lib/bio/shell/rails/public/javascripts/effects.js +0 -854
  324. data/lib/bio/shell/rails/public/javascripts/prototype.js +0 -1785
  325. data/lib/bio/shell/rails/public/robots.txt +0 -1
  326. data/lib/bio/shell/rails/public/stylesheets/main.css +0 -187
  327. data/lib/bio/shell/rails/script/about +0 -3
  328. data/lib/bio/shell/rails/script/breakpointer +0 -3
  329. data/lib/bio/shell/rails/script/console +0 -3
  330. data/lib/bio/shell/rails/script/destroy +0 -3
  331. data/lib/bio/shell/rails/script/generate +0 -3
  332. data/lib/bio/shell/rails/script/performance/benchmarker +0 -3
  333. data/lib/bio/shell/rails/script/performance/profiler +0 -3
  334. data/lib/bio/shell/rails/script/plugin +0 -3
  335. data/lib/bio/shell/rails/script/process/reaper +0 -3
  336. data/lib/bio/shell/rails/script/process/spawner +0 -3
  337. data/lib/bio/shell/rails/script/process/spinner +0 -3
  338. data/lib/bio/shell/rails/script/runner +0 -3
  339. data/lib/bio/shell/rails/script/server +0 -42
  340. data/lib/bio/shell/rails/test/test_helper.rb +0 -28
@@ -1,10 +1,10 @@
1
1
  #
2
2
  # = bio/db/embl/sptr.rb - UniProt/SwissProt and TrEMBL database class
3
3
  #
4
- # Copyright:: Copyright (C) 2001-2005 Mitsuteru C. Nakao <n@bioruby.org>
5
- # License:: LGPL
4
+ # Copyright:: Copyright (C) 2001-2006 Mitsuteru C. Nakao <n@bioruby.org>
5
+ # License:: The Ruby License
6
6
  #
7
- # $Id: sptr.rb,v 1.30 2006/01/28 06:40:38 nakao Exp $
7
+ # $Id: sptr.rb,v 1.36 2007/04/05 23:35:40 trevor Exp $
8
8
  #
9
9
  # == Description
10
10
  #
@@ -31,24 +31,7 @@
31
31
  # * The UniProtKB/SwissProt/TrEMBL User Manual
32
32
  # http://www.expasy.org/sprot/userman.html
33
33
  #
34
- #--
35
- #
36
- # This library is free software; you can redistribute it and/or
37
- # modify it under the terms of the GNU Lesser General Public
38
- # License as published by the Free Software Foundation; either
39
- # version 2 of the License, or (at your option) any later version.
40
- #
41
- # This library is distributed in the hope that it will be useful,
42
- # but WITHOUT ANY WARRANTY; without even the implied warranty of
43
- # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
44
- # Lesser General Public License for more details.
45
- #
46
- # You should have received a copy of the GNU Lesser General Public
47
- # License along with this library; if not, write to the Free Software
48
- # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
49
- #
50
- #++
51
- #
34
+
52
35
 
53
36
  require 'bio/db'
54
37
  require 'bio/db/embl/common'
@@ -62,7 +45,6 @@ class SPTR < EMBLDB
62
45
  @@entry_regrexp = /[A-Z0-9]{1,4}_[A-Z0-9]{1,5}/
63
46
  @@data_class = ["STANDARD", "PRELIMINARY"]
64
47
 
65
-
66
48
  # returns a Hash of the ID line.
67
49
  #
68
50
  # returns a content (Int or String) of the ID line by a given key.
@@ -73,30 +55,25 @@ class SPTR < EMBLDB
73
55
  # #"ID #{ENTRY_NAME} #{DATA_CLASS}; #{MOLECULE_TYPE}; #{SEQUENCE_LENGTH}."
74
56
  #
75
57
  # === Examples
76
- # obj.id_line #=> {"ENTRY_NAME"=>"P53_HUMAN", "DATA_CLASS"=>"STANDARD", "SEQUENCE_LENGTH"=>393, "MOLECULE_TYPE"=>"PRT"}
58
+ # obj.id_line #=> {"ENTRY_NAME"=>"P53_HUMAN", "DATA_CLASS"=>"STANDARD",
59
+ # "SEQUENCE_LENGTH"=>393, "MOLECULE_TYPE"=>"PRT"}
77
60
  #
78
61
  # obj.id_line('ENTRY_NAME') #=> "P53_HUMAN"
79
62
  #
80
63
  def id_line(key = nil)
81
- unless @data['ID']
82
- tmp = Hash.new
83
- a = @orig['ID'].split(/ +/)
84
- tmp['ENTRY_NAME'] = a[1]
85
- tmp['DATA_CLASS'] = a[2].sub(/;/,'')
86
- tmp['MOLECULE_TYPE'] = a[3].sub(/;/,'')
87
- tmp['SEQUENCE_LENGTH'] = a[4].to_i
88
- @data['ID'] = tmp
89
- end
90
-
91
- if key
92
- @data['ID'][key] # String/Int
93
- else
94
- @data['ID'] # Hash
95
- end
64
+ return id_line[key] if key
65
+ return @data['ID'] if @data['ID']
66
+
67
+ part = @orig['ID'].split(/ +/)
68
+ @data['ID'] = {
69
+ 'ENTRY_NAME' => part[1],
70
+ 'DATA_CLASS' => part[2].sub(/;/,''),
71
+ 'MOLECULE_TYPE' => part[3].sub(/;/,''),
72
+ 'SEQUENCE_LENGTH' => part[4].to_i
73
+ }
96
74
  end
97
75
 
98
76
 
99
-
100
77
  # returns a ENTRY_NAME in the ID line.
101
78
  #
102
79
  def entry_id
@@ -144,20 +121,15 @@ class SPTR < EMBLDB
144
121
  # DT DD-MMM-YYY (rel. NN, Last sequence update)
145
122
  # DT DD-MMM-YYY (rel. NN, Last annotation update)
146
123
  def dt(key = nil)
147
- unless @data['DT']
148
- tmp = Hash.new
149
- a = self.get('DT').split(/\n/)
150
- tmp['created'] = a[0].sub(/\w{2} /,'').strip
151
- tmp['sequence'] = a[1].sub(/\w{2} /,'').strip
152
- tmp['annotation'] = a[2].sub(/\w{2} /,'').strip
153
- @data['DT'] = tmp
154
- end
155
-
156
- if key
157
- @data['DT'][key]
158
- else
159
- @data['DT']
160
- end
124
+ return dt[key] if key
125
+ return @data['DT'] if @data['DT']
126
+
127
+ part = self.get('DT').split(/\n/)
128
+ @data['DT'] = {
129
+ 'created' => part[0].sub(/\w{2} /,'').strip,
130
+ 'sequence' => part[1].sub(/\w{2} /,'').strip,
131
+ 'annotation' => part[2].sub(/\w{2} /,'').strip
132
+ }
161
133
  end
162
134
 
163
135
 
@@ -214,16 +186,18 @@ class SPTR < EMBLDB
214
186
  #
215
187
  # === GN Line: Gene name(s) (>=0, optional)
216
188
  def gn
217
- return @data['GN'] if @data['GN']
218
-
219
- case fetch('GN')
220
- when /Name=/ then
221
- return gn_uniprot_parser
222
- else
223
- return gn_old_parser
189
+ unless @data['GN']
190
+ case fetch('GN')
191
+ when /Name=/,/ORFNames=/
192
+ @data['GN'] = gn_uniprot_parser
193
+ else
194
+ @data['GN'] = gn_old_parser
195
+ end
224
196
  end
197
+ @data['GN']
225
198
  end
226
199
 
200
+
227
201
  # returns contents in the old style GN line.
228
202
  # === GN Line: Gene name(s) (>=0, optional)
229
203
  # GN HNS OR DRDX OR OSMZ OR BGLY.
@@ -245,7 +219,7 @@ class SPTR < EMBLDB
245
219
  }
246
220
  }
247
221
  end
248
- return @data['GN'] = names
222
+ @data['GN'] = names
249
223
  end
250
224
  private :gn_old_parser
251
225
 
@@ -318,11 +292,13 @@ class SPTR < EMBLDB
318
292
  # OS Genus species (name0) (name1).
319
293
  # OS Genus species (name0), G s0 (name0), and G s (name0) (name1).
320
294
  # OS Homo sapiens (Human), and Rarrus norveticus (Rat)
295
+ # OS Hippotis sp. Clark and Watts 825.
296
+ # OS unknown cyperaceous sp.
321
297
  def os(num = nil)
322
298
  unless @data['OS']
323
299
  os = Array.new
324
300
  fetch('OS').split(/, and|, /).each do |tmp|
325
- if tmp =~ /([A-Z][a-z]* *[\w\d \:\'\+\-]+[\w\d])/
301
+ if tmp =~ /(\w+ *[\w\d \:\'\+\-\.]+[\w\d\.])/
326
302
  org = $1
327
303
  tmp =~ /(\(.+\))/
328
304
  os.push({'name' => $1, 'os' => org})
@@ -375,17 +351,224 @@ class SPTR < EMBLDB
375
351
  return @data['OX']
376
352
  end
377
353
 
354
+ # === The OH Line;
355
+ #
356
+ # OH NCBI_TaxID=TaxID; HostName.
357
+ # http://br.expasy.org/sprot/userman.html#OH_line
358
+ def oh
359
+ unless @data['OH']
360
+ @data['OH'] = fetch('OH').split("\. ").map {|x|
361
+ if x =~ /NCBI_TaxID=(\d+);/
362
+ taxid = $1
363
+ else
364
+ raise ArgumentError, ["Error: Invalid OH line format (#{self.entry_id}):",
365
+ $!, "\n", get('OH'), "\n"].join
366
+
367
+ end
368
+ if x =~ /NCBI_TaxID=\d+; (.+)/
369
+ host_name = $1
370
+ host_name.sub!(/\.$/, '')
371
+ else
372
+ host_name = nil
373
+ end
374
+ {'NCBI_TaxID' => taxid, 'HostName' => host_name}
375
+ }
376
+ end
377
+ @data['OH']
378
+ end
379
+
380
+
378
381
 
379
382
  # Bio::EMBLDB::Common#ref -> Array
380
383
  # R Lines
381
384
  # RN RC RP RX RA RT RL
382
385
 
386
+ # returns contents in the R lines.
387
+ # * Bio::EMBLDB::Common#ref -> [ <refernece information Hash>* ]
388
+ # where <reference information Hash> is:
389
+ # {'RN' => '', 'RC' => '', 'RP' => '', 'RX' => '',
390
+ # 'RA' => '', 'RT' => '', 'RL' => '', 'RG' => ''}
391
+ #
392
+ # R Lines
393
+ # * RN RC RP RX RA RT RL RG
394
+ def ref
395
+ unless @data['R']
396
+ @data['R'] = [get('R').split(/\nRN /)].flatten.map { |str|
397
+ hash = {'RN' => '', 'RC' => '', 'RP' => '', 'RX' => '',
398
+ 'RA' => '', 'RT' => '', 'RL' => '', 'RG' => ''}
399
+ str = 'RN ' + str unless /^RN / =~ str
400
+
401
+ str.split("\n").each do |line|
402
+ if /^(R[NPXARLCTG]) (.+)/ =~ line
403
+ hash[$1] += $2 + ' '
404
+ else
405
+ raise "Invalid format in R lines, \n[#{line}]\n"
406
+ end
407
+ end
408
+
409
+ hash['RN'] = set_RN(hash['RN'])
410
+ hash['RC'] = set_RC(hash['RC'])
411
+ hash['RP'] = set_RP(hash['RP'])
412
+ hash['RX'] = set_RX(hash['RX'])
413
+ hash['RA'] = set_RA(hash['RA'])
414
+ hash['RT'] = set_RT(hash['RT'])
415
+ hash['RL'] = set_RL(hash['RL'])
416
+ hash['RG'] = set_RG(hash['RG'])
417
+
418
+ hash
419
+ }
420
+
421
+ end
422
+ @data['R']
423
+ end
424
+
425
+ def set_RN(data)
426
+ data.strip
427
+ end
428
+
429
+ def set_RC(data)
430
+ data.scan(/([STP]\w+)=(.+);/).map { |comment|
431
+ [comment[1].split(/, and |, /)].flatten.map { |text|
432
+ {'Token' => comment[0], 'Text' => text}
433
+ }
434
+ }.flatten
435
+ end
436
+ private :set_RC
437
+
438
+ def set_RP(data)
439
+ data = data.strip
440
+ data = data.sub(/\.$/, '')
441
+ data.split(/, AND |, /i).map {|x|
442
+ x = x.strip
443
+ x = x.gsub(' ', ' ')
444
+ }
445
+ end
446
+ private :set_RP
383
447
 
384
- @@cc_topics = ['ALTERNATIVE PRODUCTS','CATALYTIC ACTIVITY','CAUTION',
385
- 'COFACTOR','DATABASE','DEVELOPMENTAL STAGE','DISEASE','DOMAIN',
386
- 'ENZYME REGULATION','FUNCTION','INDUCTION','MASS SPECTROMETRY',
387
- 'MISCELLANEOUS','PATHWAY','PHARMACEUTICAL','POLYMORPHISM','PTM',
388
- 'SIMILARITY','SUBCELLULAR LOCATION','SUBUNIT','TISSUE SPECIFICITY']
448
+ def set_RX(data)
449
+ rx = {'MEDLINE' => nil, 'PubMed' => nil, 'DOI' => nil}
450
+ if data =~ /MEDLINE=(.+?);/
451
+ rx['MEDLINE'] = $1
452
+ end
453
+ if data =~ /PubMed=(.+?);/
454
+ rx['PubMed'] = $1
455
+ end
456
+ if data =~ /DOI=(.+?);/
457
+ rx['DOI'] = $1
458
+ end
459
+ rx
460
+ end
461
+ private :set_RX
462
+
463
+ def set_RA(data)
464
+ data = data.sub(/; *$/, '')
465
+ end
466
+ private :set_RA
467
+
468
+ def set_RT(data)
469
+ data = data.sub(/; *$/, '')
470
+ data = data.gsub(/(^"|"$)/, '')
471
+ end
472
+ private :set_RT
473
+
474
+ def set_RL(data)
475
+ data = data.strip
476
+ end
477
+ private :set_RL
478
+
479
+ def set_RG(data)
480
+ data = data.split('; ')
481
+ end
482
+ private :set_RG
483
+
484
+
485
+
486
+ # returns Bio::Reference object from Bio::EMBLDB::Common#ref.
487
+ # * Bio::EMBLDB::Common#ref -> Bio::References
488
+ def references
489
+ unless @data['references']
490
+ ary = self.ref.map {|ent|
491
+ hash = Hash.new('')
492
+ ent.each {|key, value|
493
+ case key
494
+ when 'RA'
495
+ hash['authors'] = value.split(/, /)
496
+ when 'RT'
497
+ hash['title'] = value
498
+ when 'RL'
499
+ if value =~ /(.*) (\d+) \((\d+)\), (\d+-\d+) \((\d+)\)$/
500
+ hash['journal'] = $1
501
+ hash['volume'] = $2
502
+ hash['issue'] = $3
503
+ hash['pages'] = $4
504
+ hash['year'] = $5
505
+ else
506
+ hash['journal'] = value
507
+ end
508
+ when 'RX' # PUBMED, MEDLINE
509
+ value.split('.').each {|item|
510
+ tag, xref = item.split(/; /).map {|i| i.strip }
511
+ hash[ tag.downcase ] = xref
512
+ }
513
+ end
514
+ }
515
+ Reference.new(hash)
516
+ }
517
+ @data['references'] = References.new(ary)
518
+ end
519
+ @data['references']
520
+ end
521
+
522
+
523
+
524
+
525
+
526
+
527
+ # === The HI line
528
+ # Bio::SPTR#hi #=> hash
529
+ def hi
530
+ unless @data['HI']
531
+ @data['HI'] = []
532
+ fetch('HI').split(/\. /).each do |hlist|
533
+ hash = {'Category' => '', 'Keywords' => [], 'Keyword' => ''}
534
+ hash['Category'], hash['Keywords'] = hlist.split(': ')
535
+ hash['Keywords'] = hash['Keywords'].split('; ')
536
+ hash['Keyword'] = hash['Keywords'].pop
537
+ hash['Keyword'].sub!(/\.$/, '')
538
+ @data['HI'] << hash
539
+ end
540
+ end
541
+ @data['HI']
542
+ end
543
+
544
+
545
+ @@cc_topics = ['PHARMACEUTICAL',
546
+ 'BIOTECHNOLOGY',
547
+ 'TOXIC DOSE',
548
+ 'ALLERGEN',
549
+ 'RNA EDITING',
550
+ 'POLYMORPHISM',
551
+ 'BIOPHYSICOCHEMICAL PROPERTIES',
552
+ 'MASS SPECTROMETRY',
553
+ 'WEB RESOURCE',
554
+ 'ENZYME REGULATION',
555
+ 'DISEASE',
556
+ 'INTERACTION',
557
+ 'DEVELOPMENTAL STAGE',
558
+ 'INDUCTION',
559
+ 'CAUTION',
560
+ 'ALTERNATIVE PRODUCTS',
561
+ 'DOMAIN',
562
+ 'PTM',
563
+ 'MISCELLANEOUS',
564
+ 'TISSUE SPECIFICITY',
565
+ 'COFACTOR',
566
+ 'PATHWAY',
567
+ 'SUBUNIT',
568
+ 'CATALYTIC ACTIVITY',
569
+ 'SUBCELLULAR LOCATION',
570
+ 'FUNCTION',
571
+ 'SIMILARITY']
389
572
  # returns contents in the CC lines.
390
573
  # * Bio::SPTR#cc -> Hash
391
574
  #
@@ -425,27 +608,44 @@ class SPTR < EMBLDB
425
608
  # CC -!- TOPIC: FIRST LINE OF A COMMENT BLOCK;
426
609
  # CC SECOND AND SUBSEQUENT LINES OF A COMMENT BLOCK.
427
610
  #
428
- def cc(tag = nil)
611
+ # See also http://www.expasy.org/sprot/userman.html#CC_line
612
+ #
613
+ def cc(topic = nil)
429
614
  unless @data['CC']
430
615
  cc = Hash.new
431
- cmt = '-' * (77 - 4 + 1)
616
+ comment_border= '-' * (77 - 4 + 1)
432
617
  dlm = /-!- /
433
618
 
434
- return cc if get('CC').size == 0 # 12KD_MYCSM has no CC lines.
619
+ # 12KD_MYCSM has no CC lines.
620
+ return cc if get('CC').size == 0
621
+
622
+ cc_raw = fetch('CC')
623
+
624
+ # Removing the copyright statement.
625
+ cc_raw.sub!(/ *---.+---/m, '')
626
+
627
+ # Not any CC Lines without the copyright statement.
628
+ return cc if cc_raw == ''
435
629
 
436
630
  begin
437
- fetch('CC').split(/#{cmt}/)[0].sub(dlm,'').split(dlm).each do |tmp|
631
+ cc_raw, copyright = cc_raw.split(/#{comment_border}/)[0]
632
+ cc_raw = cc_raw.sub(dlm,'')
633
+ cc_raw.split(dlm).each do |tmp|
634
+ tmp = tmp.strip
635
+
438
636
  if /(^[A-Z ]+[A-Z]): (.+)/ =~ tmp
439
637
  key = $1
440
- body = $2.gsub(/- (?!AND)/,'-')
638
+ body = $2
639
+ body.gsub!(/- (?!AND)/,'-')
640
+ body.strip!
441
641
  unless cc[key]
442
642
  cc[key] = [body]
443
643
  else
444
644
  cc[key].push(body)
445
645
  end
446
646
  else
447
- raise ["Error: [#{entry_id}]: CC Lines", '',
448
- tmp, '', '', fetch('CC'),''].join("\n")
647
+ raise ["Error: [#{entry_id}]: CC Lines", '"', tmp, '"',
648
+ '', get('CC'),''].join("\n")
449
649
  end
450
650
  end
451
651
  rescue NameError
@@ -461,29 +661,62 @@ class SPTR < EMBLDB
461
661
  @data['CC'] = cc
462
662
  end
463
663
 
464
- case tag
465
- when 'ALTERNATIVE PRODUCTS'
466
- ap = @data['CC']['ALTERNATIVE PRODUCTS'].to_s
467
- return ap unless ap
468
-
469
- # Event, Named isoforms, Comment, [Name, Synonyms, IsoId, Sequnce]+
470
- tmp = {'Event' => nil, 'Named isoforms' => nil, 'Comment' => nil, 'Variants' => []}
471
-
472
- if /Event=(.+?);/ =~ ap
473
- tmp['Event'] = $1
474
- end
475
- if /Named isoforms=(\S+?);/ =~ ap
476
- tmp['Named isoforms'] = $1
477
- end
478
- if /Comment=(.+?);/m =~ ap
479
- tmp['Comment'] = $1
480
- end
481
- ap.scan(/Name=.+?Sequence=.+?;/).each do |ent|
482
- tmp['Variants'] << cc_ap_variants_parse(ent)
483
- end
484
- return tmp
485
-
486
664
 
665
+ case topic
666
+ when 'ALLERGEN'
667
+ return @data['CC'][topic]
668
+ when 'ALTERNATIVE PRODUCTS'
669
+ return cc_alternative_products(@data['CC'][topic])
670
+ when 'BIOPHYSICOCHEMICAL PROPERTIES'
671
+ return cc_biophysiochemical_properties(@data['CC'][topic])
672
+ when 'BIOTECHNOLOGY'
673
+ return @data['CC'][topic]
674
+ when 'CATALITIC ACTIVITY'
675
+ return cc_catalytic_activity(@data['CC'][topic])
676
+ when 'CAUTION'
677
+ return cc_caution(@data['CC'][topic])
678
+ when 'COFACTOR'
679
+ return @data['CC'][topic]
680
+ when 'DEVELOPMENTAL STAGE'
681
+ return @data['CC'][topic].to_s
682
+ when 'DISEASE'
683
+ return @data['CC'][topic].to_s
684
+ when 'DOMAIN'
685
+ return @data['CC'][topic]
686
+ when 'ENZYME REGULATION'
687
+ return @data['CC'][topic].to_s
688
+ when 'FUNCTION'
689
+ return @data['CC'][topic].to_s
690
+ when 'INDUCTION'
691
+ return @data['CC'][topic].to_s
692
+ when 'INTERACTION'
693
+ return cc_interaction(@data['CC'][topic])
694
+ when 'MASS SPECTROMETRY'
695
+ return cc_mass_spectrometry(@data['CC'][topic])
696
+ when 'MISCELLANEOUS'
697
+ return @data['CC'][topic]
698
+ when 'PATHWAY'
699
+ return cc_pathway(@data['CC'][topic])
700
+ when 'PHARMACEUTICAL'
701
+ return @data['CC'][topic]
702
+ when 'POLYMORPHISM'
703
+ return @data['CC'][topic]
704
+ when 'PTM'
705
+ return @data['CC'][topic]
706
+ when 'RNA EDITING'
707
+ return cc_rna_editing(@data['CC'][topic])
708
+ when 'SIMILARITY'
709
+ return @data['CC'][topic]
710
+ when 'SUBCELLULAR LOCATION'
711
+ return cc_subcellular_location(@data['CC'][topic])
712
+ when 'SUBUNIT'
713
+ return @data['CC'][topic]
714
+ when 'TISSUE SPECIFICITY'
715
+ return @data['CC'][topic]
716
+ when 'TOXIC DOSE'
717
+ return @data['CC'][topic]
718
+ when 'WEB RESOURCE'
719
+ return cc_web_resource(@data['CC'][topic])
487
720
  when 'DATABASE'
488
721
  # DATABASE: NAME=Text[; NOTE=Text][; WWW="Address"][; FTP="Address"].
489
722
  tmp = Array.new
@@ -507,73 +740,208 @@ class SPTR < EMBLDB
507
740
  tmp.push(db)
508
741
  end
509
742
  return tmp
510
-
511
- when 'MASS SPECTOROMETRY'
512
- # MASS SPECTROMETRY: MW=XXX[; MW_ERR=XX][; METHOD=XX][;RANGE=XX-XX].
513
- tmp = Array.new
514
- ms = @data['CC']['MASS SPECTOROMETRY']
515
- return ms unless ms
516
-
517
- ms.each do |m|
518
- mass = {'MW'=>nil,'MW_ERR'=>nil,'METHOD'=>nil,'RANGE'=>nil}
519
- m.sub(/.$/,'').split(/;/).each do |line|
520
- case line
521
- when /MW=(.+)/
522
- mass['MW'] = $1.to_f
523
- when /MW_ERR=(.+)/
524
- mass['MW_ERR'] = $1.to_f
525
- when /METHOD="(.+)"/
526
- mass['METHOD'] = $1.to_s
527
- when /RANGE="(\d+-\d+)"/
528
- mass['RANGE'] = $1 # RANGE class ?
529
- end
530
- end
531
- tmp.push(mass)
532
- end
533
- return tmp
534
-
535
- when 'INTERACTION'
536
- return cc_interaction_parse(@data['CC']['INTERACTION'].to_s)
537
-
538
743
  when nil
539
744
  return @data['CC']
540
-
541
745
  else
542
- return @data['CC'][tag]
746
+ return @data['CC'][topic]
543
747
  end
544
748
  end
545
749
 
546
750
 
751
+ def cc_alternative_products(data)
752
+ ap = data.to_s
753
+ return ap unless ap
754
+
755
+ # Event, Named isoforms, Comment, [Name, Synonyms, IsoId, Sequnce]+
756
+ tmp = {'Event' => "", 'Named isoforms' => "", 'Comment' => "",
757
+ 'Variants' => []}
758
+ if /Event=(.+?);/ =~ ap
759
+ tmp['Event'] = $1
760
+ tmp['Event'] = tmp['Event'].sub(/;/,'').split(/, /)
761
+ end
762
+ if /Named isoforms=(\S+?);/ =~ ap
763
+ tmp['Named isoforms'] = $1
764
+ end
765
+ if /Comment=(.+?);/m =~ ap
766
+ tmp['Comment'] = $1
767
+ end
768
+ ap.scan(/Name=.+?Sequence=.+?;/).each do |ent|
769
+ tmp['Variants'] << cc_alternative_products_variants(ent)
770
+ end
771
+ return tmp
772
+ end
773
+ private :cc_alternative_products
547
774
 
548
- def cc_ap_variants_parse(ent)
549
- hsh = {}
550
- ent.split(/; /).map {|e| e.split(/=/) }.each do |e|
775
+ def cc_alternative_products_variants(data)
776
+ variant = {'Name' => '', 'Synonyms' => [], 'IsoId' => [], 'Sequence' => []}
777
+ data.split(/; /).map {|x| x.split(/=/) }.each do |e|
551
778
  case e[0]
552
- when 'Sequence'
779
+ when 'Sequence', 'Synonyms', 'IsoId'
553
780
  e[1] = e[1].sub(/;/,'').split(/, /)
554
781
  end
555
- hsh[e[0]] = e[1]
782
+ variant[e[0]] = e[1]
783
+ end
784
+ variant
785
+ end
786
+ private :cc_alternative_products_variants
787
+
788
+
789
+ def cc_biophysiochemical_properties(data)
790
+ data = data[0]
791
+
792
+ hash = {'Absorption' => {},
793
+ 'Kinetic parameters' => {},
794
+ 'pH dependence' => "",
795
+ 'Redox potential' => "",
796
+ 'Temperature dependence' => ""}
797
+ if data =~ /Absorption: Abs\(max\)=(.+?);/
798
+ hash['Absorption']['Abs(max)'] = $1
799
+ end
800
+ if data =~ /Absorption: Abs\(max\)=.+; Note=(.+?);/
801
+ hash['Absorption']['Note'] = $1
802
+ end
803
+ if data =~ /Kinetic parameters: KM=(.+?); Vmax=(.+?);/
804
+ hash['Kinetic parameters']['KM'] = $1
805
+ hash['Kinetic parameters']['Vmax'] = $2
556
806
  end
557
- return hsh
807
+ if data =~ /Kinetic parameters: KM=.+; Vmax=.+; Note=(.+?);/
808
+ hash['Kinetic parameters']['Note'] = $1
809
+ end
810
+ if data =~ /pH dependence: (.+?);/
811
+ hash['pH dependence'] = $1
812
+ end
813
+ if data =~ /Redox potential: (.+?);/
814
+ hash['Redox potential'] = $1
815
+ end
816
+ if data =~ /Temperature dependence: (.+?);/
817
+ hash['Temperature dependence'] = $1
818
+ end
819
+ hash
820
+ end
821
+ private :cc_biophysiochemical_properties
822
+
823
+
824
+ def cc_caution(data)
825
+ data.to_s
558
826
  end
559
- private :cc_ap_variants_parse
827
+ private :cc_caution
560
828
 
561
829
 
562
830
  # returns conteins in a line of the CC INTERACTION section.
563
831
  #
564
832
  # CC P46527:CDKN1B; NbExp=1; IntAct=EBI-359815, EBI-519280;
565
- def cc_interaction_parse(str)
833
+ def cc_interaction(data)
834
+ str = data.to_s
566
835
  it = str.scan(/(.+?); NbExp=(.+?); IntAct=(.+?);/)
567
836
  it.map {|ent|
568
- {:partner_id => ent[0].strip,
569
- :nbexp => ent[1].strip,
570
- :intact_acc => ent[2].split(', ') }
837
+ ent.map! {|x| x.strip }
838
+ if ent[0] =~ /^(.+):(.+)/
839
+ spac = $1
840
+ spid = $2.split(' ')[0]
841
+ optid = nil
842
+ elsif ent[0] =~ /Self/
843
+ spac = self.entry_id
844
+ spid = self.entry_id
845
+ optid = nil
846
+ end
847
+ if ent[0] =~ /^.+:.+ (.+)/
848
+ optid = $1
849
+ end
850
+
851
+ {'SP_Ac' => spac,
852
+ 'identifier' => spid,
853
+ 'NbExp' => ent[1],
854
+ 'IntAct' => ent[2].split(', '),
855
+ 'optional_identifier' => optid}
856
+ }
857
+ end
858
+ private :cc_interaction
859
+
860
+
861
+ def cc_mass_spectrometry(data)
862
+ # MASS SPECTROMETRY: MW=XXX[; MW_ERR=XX][; METHOD=XX][;RANGE=XX-XX].
863
+ return data unless data
864
+
865
+ data.map { |m|
866
+ mass = {'MW' => nil, 'MW_ERR' => nil, 'METHOD' => nil, 'RANGE' => nil,
867
+ 'NOTE' => nil}
868
+ m.sub(/.$/,'').split(/;/).each do |line|
869
+ case line
870
+ when /MW=(.+)/
871
+ mass['MW'] = $1
872
+ when /MW_ERR=(.+)/
873
+ mass['MW_ERR'] = $1
874
+ when /METHOD=(.+)/
875
+ mass['METHOD'] = $1
876
+ when /RANGE=(\d+-\d+)/
877
+ mass['RANGE'] = $1 # RANGE class ?
878
+ when /NOTE=(.+)/
879
+ mass['NOTE'] = $1
880
+ end
881
+ end
882
+ mass
883
+ }
884
+ end
885
+ private :cc_mass_spectrometry
886
+
887
+
888
+ def cc_pathway(data)
889
+ data.map {|x| x.sub(/\.$/, '') }.map {|x|
890
+ x.split(/; | and |: /)
891
+ }[0]
892
+ end
893
+ private :cc_pathway
894
+
895
+
896
+ def cc_rna_editing(data)
897
+ data = data.to_s
898
+ entry = {'Modified_positions' => [], 'Note' => ""}
899
+ if data =~ /Modified_positions=(.+?)(\.|;)/
900
+ entry['Modified_positions'] = $1.sub(/\.$/, '').split(', ')
901
+ else
902
+ raise ArgumentError, "Invarid CC RNA Editing lines (#{self.entry_id}):#{$!}\n#{get('CC')}"
903
+ end
904
+ if data =~ /Note=(.+)/
905
+ entry['Note'] = $1
906
+ end
907
+ entry
908
+ end
909
+ private :cc_rna_editing
910
+
911
+
912
+ def cc_subcellular_location(data)
913
+ data.map {|x|
914
+ x.split('. ').map {|y|
915
+ y.split('; ').map {|z|
916
+ z.sub(/\.$/, '')
917
+ }
918
+ }
919
+ }[0]
920
+ end
921
+ private :cc_subcellular_location
922
+
923
+
924
+ # CC -!- WEB RESOURCE: NAME=ResourceName[; NOTE=FreeText][; URL=WWWAddress].
925
+ def cc_web_resource(data)
926
+ data.map {|x|
927
+ entry = {'NAME' => nil, 'NOTE' => nil, 'URL' => nil}
928
+ x.split(';').each do |y|
929
+ case y
930
+ when /NAME=(.+)/
931
+ entry['NAME'] = $1.strip
932
+ when /NOTE=(.+)/
933
+ entry['NOTE'] = $1.strip
934
+ when /URL="(.+)"/
935
+ entry['URL'] = $1.strip
936
+ end
937
+ end
938
+ entry
571
939
  }
572
940
  end
573
- private :cc_interaction_parse
941
+
574
942
 
575
943
  # returns databases cross-references in the DR lines.
576
- # * Bio::EMBLDB#dr -> Hash w/in Array
944
+ # * Bio::SPTR#dr -> Hash w/in Array
577
945
  #
578
946
  # === DR Line; defabases cross-reference (>=0)
579
947
  # DR database_identifier; primary_identifier; secondary_identifier.
@@ -585,6 +953,24 @@ class SPTR < EMBLDB
585
953
  'PROSITE','REBASE','AARHUS/GHENT-2DPAGE','SGD','STYGENE','SUBTILIST',
586
954
  'SWISS-2DPAGE','TIGR','TRANSFAC','TUBERCULIST','WORMPEP','YEPD','ZFIN']
587
955
 
956
+ # Backup Bio::EMBLDB#dr as embl_dr
957
+ alias :embl_dr :dr
958
+
959
+ # Bio::SPTR#dr
960
+ def dr(key = nil)
961
+ unless key
962
+ embl_dr
963
+ else
964
+ embl_dr[key].map {|x|
965
+ {'Accession' => x[0],
966
+ 'Version' => x[1],
967
+ ' ' => x[2],
968
+ 'Molecular Type' => x[3]}
969
+ }
970
+ end
971
+ end
972
+
973
+
588
974
  # Bio::EMBLDB::Common#kw - Array
589
975
  # #keywords -> Array
590
976
  #
@@ -592,10 +978,29 @@ class SPTR < EMBLDB
592
978
  # KW [Keyword;]+
593
979
 
594
980
 
595
- # returns conteins in the feature table.
981
+ # returns contents in the feature table.
982
+ #
983
+ # == Examples
984
+ #
985
+ # sp = Bio::SPTR.new(entry)
986
+ # ft = sp.ft
987
+ # ft.class #=> Hash
988
+ # ft.keys.each do |feature_key|
989
+ # ft[feature_key].each do |feature|
990
+ # feature['From'] #=> '1'
991
+ # feature['To'] #=> '21'
992
+ # feature['Description'] #=> ''
993
+ # feature['FTId'] #=> ''
994
+ # feature['diff'] #=> []
995
+ # feature['original'] #=> [feature_key, '1', '21', '', '']
996
+ # end
997
+ # end
998
+ #
596
999
  # * Bio::SPTR#ft -> Hash
597
- # {'feature_name' => [{'From' => str, 'To' => str,
598
- # 'Description' => str, 'FTId' => str}],...}
1000
+ # {FEATURE_KEY => [{'From' => int, 'To' => int,
1001
+ # 'Description' => aStr, 'FTId' => aStr,
1002
+ # 'diff' => [original_residues, changed_residues],
1003
+ # 'original' => aAry }],...}
599
1004
  #
600
1005
  # returns an Array of the information about the feature_name in the feature table.
601
1006
  # * Bio::SPTR#ft(feature_name) -> Array of Hash
@@ -611,106 +1016,87 @@ class SPTR < EMBLDB
611
1016
  # 22-27 `TO' endpoint
612
1017
  # 35-75 Description (>=0 per key)
613
1018
  # ----- -----------------
614
- def ft(feature_name = nil)
615
- unless @data['FT']
616
- table = Hash.new()
617
- last_feature = nil
618
-
619
- begin
620
- get('FT').split(/\n/).each {|line|
621
-
622
- feature = line[5..12].strip
1019
+ #
1020
+ # Note: 'FROM' and 'TO' endopoints are allowed to use non-numerial charactors
1021
+ # including '<', '>' or '?'. (c.f. '<1', '?42')
1022
+ #
1023
+ # See also http://www.expasy.org/sprot/userman.html#FT_line
1024
+ #
1025
+ def ft(feature_key = nil)
1026
+ return ft[feature_key] if feature_key
1027
+ return @data['FT'] if @data['FT']
623
1028
 
624
- if feature == '' and line[34..74]
625
- tmp = ' ' + line[34..74].strip
626
- table[last_feature].last['Description'] << tmp
627
-
628
- next unless /\.$/ =~ line
629
- else
630
- from = line[14..19].strip
631
- to = line[21..26].strip
632
- desc = line[34..74].strip if line[34..74]
633
-
634
- table[feature] = [] unless table[feature]
635
- table[feature] << {
636
- 'From' => from.to_i,
637
- 'To' => to.to_i,
638
- 'Description' => desc,
639
- 'diff' => [],
640
- 'FTId' => nil }
641
- last_feature = feature
642
- next
643
- end
1029
+ table = []
1030
+ begin
1031
+ get('FT').split("\n").each do |line|
1032
+ if line =~ /^FT \w/
1033
+ feature = line.chomp.ljust(74)
1034
+ table << [feature[ 5..12].strip, # Feature Name
1035
+ feature[14..19].strip, # From
1036
+ feature[21..26].strip, # To
1037
+ feature[34..74].strip ] # Description
1038
+ else
1039
+ table.last << line.chomp.sub!(/^FT +/, '')
1040
+ end
1041
+ end
644
1042
 
645
- case last_feature
646
- when 'VARSPLIC', 'VARIANT', 'CONFLICT'
647
- if /FTId=(.+?)\./ =~ line # version 41 >
648
- ftid = $1
649
- table[last_feature].last['FTId'] = ftid
650
- table[last_feature].last['Description'].sub!(/ \/FTId=#{ftid}./,'')
651
- end
1043
+ # Joining Description lines
1044
+ table = table.map { |feature|
1045
+ ftid = feature.pop if feature.last =~ /FTId=/
1046
+ if feature.size > 4
1047
+ feature = [feature[0],
1048
+ feature[1],
1049
+ feature[2],
1050
+ feature[3, feature.size - 3].join(" ")]
1051
+ end
1052
+ feature << if ftid then ftid else '' end
1053
+ }
652
1054
 
653
- case table[last_feature].last['Description']
654
- when /(\w[\w ]*\w*) - ?> (\w[\w ]*\w*)/
655
- original = $1
656
- swap = $2
657
- original = original.gsub(/ /,'').strip
658
- swap = swap.gsub(/ /,'').strip
659
- when /Missing/i
660
- original = seq.subseq(table[last_feature].last['From'],
661
- table[last_feature].last['To'])
662
- swap = ''
663
- else
664
- raise line
665
- end
666
- table[last_feature].last['diff'] = [original, swap]
667
- end
1055
+ hash = {}
1056
+ table.each do |feature|
1057
+ hash[feature[0]] = [] unless hash[feature[0]]
1058
+ hash[feature[0]] << {
1059
+ # Removing '<', '>' or '?' in FROM/TO endopoint.
1060
+ 'From' => feature[1].sub(/\D/, '').to_i,
1061
+ 'To' => feature[2].sub(/\D/, '').to_i,
1062
+ 'Description' => feature[3],
1063
+ 'FTId' => feature[4].to_s.sub(/\/FTId=/, '').sub(/\.$/, ''),
1064
+ 'diff' => [],
1065
+ 'original' => feature
668
1066
  }
669
1067
 
670
- rescue
671
- raise "Invalid FT Lines(#{$!}) in #{entry_id}:, \n" +
672
- "'#{self.get('FT')}'\n"
673
- end
674
-
675
- table.each_key do |k|
676
- table[k].each do |e|
677
- if / -> / =~ e['Description']
678
- pattern = /([A-Z][A-Z ]*[A-Z]*) -> ([A-Z][A-Z ]*[A-Z]*)/
679
- e['Description'].sub!(pattern) {
680
- a = $1
681
- b = $2
682
- a.gsub(/ /,'') + " -> " + b.gsub(/ /,'')
683
- }
684
- end
685
- if /- [\w\d]/ =~ e['Description']
686
- e['Description'].gsub!(/([\w\d]- [\w\d]+)/) {
687
- a = $1
688
- if /- AND/ =~ a
689
- a
690
- else
691
- a.sub(/ /,'')
692
- end
693
- }
1068
+ case feature[0]
1069
+ when 'VARSPLIC', 'VARIANT', 'VAR_SEQ', 'CONFLICT'
1070
+ case hash[feature[0]].last['Description']
1071
+ when /(\w[\w ]*\w*) - ?> (\w[\w ]*\w*)/
1072
+ original_res = $1
1073
+ changed_res = $2
1074
+ original_res = original_res.gsub(/ /,'').strip
1075
+ chenged_res = changed_res.gsub(/ /,'').strip
1076
+ when /Missing/i
1077
+ original_res = seq.subseq(hash[feature[0]].last['From'],
1078
+ hash[feature[0]].last['To'])
1079
+ changed_res = ''
694
1080
  end
1081
+ hash[feature[0]].last['diff'] = [original_res, chenged_res]
695
1082
  end
696
1083
  end
697
- @data['FT'] = table
1084
+ rescue
1085
+ raise "Invalid FT Lines(#{$!}) in #{entry_id}:, \n'#{self.get('FT')}'\n"
698
1086
  end
699
1087
 
700
- if feature_name
701
- @data['FT'][feature_name]
702
- else
703
- @data['FT']
704
- end
1088
+ @data['FT'] = hash
705
1089
  end
706
1090
 
707
1091
 
1092
+
708
1093
  # returns a Hash of conteins in the SQ lines.
709
1094
  # * Bio::SPTRL#sq -> hsh
710
1095
  #
711
1096
  # returns a value of a key given in the SQ lines.
712
1097
  # * Bio::SPTRL#sq(key) -> int or str
713
- # * Keys: ['MW', 'mw', 'molecular', 'weight', 'aalen', 'len', 'length', 'CRC64']
1098
+ # * Keys: ['MW', 'mw', 'molecular', 'weight', 'aalen', 'len', 'length',
1099
+ # 'CRC64']
714
1100
  #
715
1101
  # === SQ Line; sequence header (1/entry)
716
1102
  # SQ SEQUENCE 233 AA; 25630 MW; 146A1B48A1475C86 CRC64;
@@ -759,84 +1145,6 @@ end # class SPTR
759
1145
  end # module Bio
760
1146
 
761
1147
 
762
- if __FILE__ == $0
763
- # Usage: ruby __FILE__ uniprot_sprot.dat
764
- # Usage: ruby __FILE__ uniprot_sprot.dat | egrep '^RuntimeError'
765
-
766
- begin
767
- require 'pp'
768
- alias pp p
769
- rescue LoadError
770
- end
771
-
772
- def cmd(cmd, tag = nil, ent = $ent)
773
- puts " ==> #{cmd} "
774
- puts Bio::SPTR.new(ent).get(tag) if tag
775
- begin
776
- p eval(cmd)
777
- rescue RuntimeError
778
- puts "RuntimeError(#{Bio::SPTR.new($ent).entry_id})}: #{$!} "
779
- end
780
- puts
781
- end
782
-
783
-
784
- while $ent = $<.gets(Bio::SPTR::RS)
785
-
786
- cmd "Bio::SPTR.new($ent).entry_id"
787
-
788
- cmd "Bio::SPTR.new($ent).id_line", 'ID'
789
- cmd "Bio::SPTR.new($ent).entry"
790
- cmd "Bio::SPTR.new($ent).entry_name"
791
- cmd "Bio::SPTR.new($ent).molecule"
792
- cmd "Bio::SPTR.new($ent).sequence_length"
793
-
794
- cmd "Bio::SPTR.new($ent).ac", 'AC'
795
- cmd "Bio::SPTR.new($ent).accession"
796
-
797
-
798
- cmd "Bio::SPTR.new($ent).gn", 'GN'
799
- cmd "Bio::SPTR.new($ent).gene_name"
800
- cmd "Bio::SPTR.new($ent).gene_names"
801
-
802
- cmd "Bio::SPTR.new($ent).dt", "DT"
803
- ['created','annotation','sequence'].each do |key|
804
- cmd "Bio::SPTR.new($ent).dt('#{key}')"
805
- end
806
-
807
- cmd "Bio::SPTR.new($ent).de", 'DE'
808
- cmd "Bio::SPTR.new($ent).definition"
809
- cmd "Bio::SPTR.new($ent).protein_name"
810
- cmd "Bio::SPTR.new($ent).synonyms"
811
-
812
- cmd "Bio::SPTR.new($ent).kw", 'KW'
813
-
814
- cmd "Bio::SPTR.new($ent).os", 'OS'
815
-
816
- cmd "Bio::SPTR.new($ent).oc", 'OC'
817
-
818
- cmd "Bio::SPTR.new($ent).og", 'OG'
819
-
820
- cmd "Bio::SPTR.new($ent).ox", 'OX'
821
-
822
- cmd "Bio::SPTR.new($ent).ref", 'R'
823
-
824
- cmd "Bio::SPTR.new($ent).cc", 'CC'
825
- cmd "Bio::SPTR.new($ent).cc('ALTERNATIVE PRODUCTS')"
826
- cmd "Bio::SPTR.new($ent).cc('DATABASE')"
827
- cmd "Bio::SPTR.new($ent).cc('MASS SPECTOMETRY')"
828
-
829
- cmd "Bio::SPTR.new($ent).dr", 'DR'
830
-
831
- cmd "Bio::SPTR.new($ent).ft", 'FT'
832
- cmd "Bio::SPTR.new($ent).ft['DOMAIN']"
833
-
834
- cmd "Bio::SPTR.new($ent).sq", "SQ"
835
- cmd "Bio::SPTR.new($ent).seq"
836
- end
837
-
838
- end
839
-
840
1148
 
841
1149
  =begin
842
1150
 
@@ -955,6 +1263,7 @@ Class for a entry in the SWISS-PROT/TrEMBL database.
955
1263
  # OG - organelle (0 or 1 per entry; optional)
956
1264
  # OC - organism classification (>=1 per entry)
957
1265
  # OX - organism taxonomy x-ref (>=1 per entry)
1266
+ # OH - Organism Host
958
1267
  # RN - reference number (>=1 per entry)
959
1268
  # RP - reference positions (>=1 per entry)
960
1269
  # RC - reference comment(s) (>=0 per entry; optional)
@@ -962,6 +1271,7 @@ Class for a entry in the SWISS-PROT/TrEMBL database.
962
1271
  # RA - reference author(s) (>=1 per entry)
963
1272
  # RT - reference title (>=0 per entry; optional)
964
1273
  # RL - reference location (>=1 per entry)
1274
+ # RG - reference group(s)
965
1275
  # CC - comments or notes (>=0 per entry; optional)
966
1276
  # DR - database cross-references (>=0 per entry; optional)
967
1277
  # KW - keywords (>=1 per entry)