@bgicli/bgicli 2.1.1 → 2.2.0

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 (1266) hide show
  1. package/data/skills/aav-vector-design-agent/SKILL.md +198 -0
  2. package/data/skills/adaptyv/SKILL.md +112 -0
  3. package/data/skills/adhd-daily-planner/SKILL.md +271 -0
  4. package/data/skills/aeon/SKILL.md +372 -0
  5. package/data/skills/agent-browser/SKILL.md +159 -0
  6. package/data/skills/agentd-drug-discovery/SKILL.md +52 -0
  7. package/data/skills/ai-analyzer/SKILL.md +218 -0
  8. package/data/skills/alphafold/SKILL.md +183 -0
  9. package/data/skills/alphafold-database/SKILL.md +500 -0
  10. package/data/skills/anndata/SKILL.md +394 -0
  11. package/data/skills/antibody-design-agent/SKILL.md +64 -0
  12. package/data/skills/arboreto/SKILL.md +237 -0
  13. package/data/skills/armored-cart-design-agent/SKILL.md +225 -0
  14. package/data/skills/arxiv-search/SKILL.md +224 -0
  15. package/data/skills/autonomous-oncology-agent/SKILL.md +77 -0
  16. package/data/skills/bayesian-optimizer/SKILL.md +60 -0
  17. package/data/skills/benchling-integration/SKILL.md +473 -0
  18. package/data/skills/bgpt-paper-search/SKILL.md +81 -0
  19. package/data/skills/bindcraft/SKILL.md +198 -0
  20. package/data/skills/binder-design/SKILL.md +182 -0
  21. package/data/skills/binding-characterization/SKILL.md +234 -0
  22. package/data/skills/bindingdb-database/SKILL.md +332 -0
  23. package/data/skills/bio-admet-prediction/SKILL.md +224 -0
  24. package/data/skills/bio-alignment-files-bam-statistics/SKILL.md +340 -0
  25. package/data/skills/bio-alignment-filtering/SKILL.md +322 -0
  26. package/data/skills/bio-alignment-indexing/SKILL.md +249 -0
  27. package/data/skills/bio-alignment-io/SKILL.md +301 -0
  28. package/data/skills/bio-alignment-msa-parsing/SKILL.md +366 -0
  29. package/data/skills/bio-alignment-msa-statistics/SKILL.md +375 -0
  30. package/data/skills/bio-alignment-pairwise/SKILL.md +277 -0
  31. package/data/skills/bio-alignment-sorting/SKILL.md +296 -0
  32. package/data/skills/bio-alignment-validation/SKILL.md +374 -0
  33. package/data/skills/bio-atac-seq-atac-peak-calling/SKILL.md +221 -0
  34. package/data/skills/bio-atac-seq-atac-qc/SKILL.md +292 -0
  35. package/data/skills/bio-atac-seq-differential-accessibility/SKILL.md +268 -0
  36. package/data/skills/bio-atac-seq-footprinting/SKILL.md +256 -0
  37. package/data/skills/bio-atac-seq-motif-deviation/SKILL.md +319 -0
  38. package/data/skills/bio-atac-seq-nucleosome-positioning/SKILL.md +321 -0
  39. package/data/skills/bio-basecalling/SKILL.md +368 -0
  40. package/data/skills/bio-batch-downloads/SKILL.md +384 -0
  41. package/data/skills/bio-batch-processing/SKILL.md +303 -0
  42. package/data/skills/bio-bedgraph-handling/SKILL.md +336 -0
  43. package/data/skills/bio-blast-searches/SKILL.md +354 -0
  44. package/data/skills/bio-causal-genomics-colocalization-analysis/SKILL.md +264 -0
  45. package/data/skills/bio-causal-genomics-fine-mapping/SKILL.md +267 -0
  46. package/data/skills/bio-causal-genomics-mediation-analysis/SKILL.md +264 -0
  47. package/data/skills/bio-causal-genomics-mendelian-randomization/SKILL.md +221 -0
  48. package/data/skills/bio-causal-genomics-pleiotropy-detection/SKILL.md +292 -0
  49. package/data/skills/bio-cfdna-preprocessing/SKILL.md +200 -0
  50. package/data/skills/bio-chipseq-differential-binding/SKILL.md +262 -0
  51. package/data/skills/bio-chipseq-motif-analysis/SKILL.md +387 -0
  52. package/data/skills/bio-chipseq-peak-annotation/SKILL.md +239 -0
  53. package/data/skills/bio-chipseq-peak-calling/SKILL.md +277 -0
  54. package/data/skills/bio-chipseq-qc/SKILL.md +391 -0
  55. package/data/skills/bio-chipseq-super-enhancers/SKILL.md +288 -0
  56. package/data/skills/bio-chipseq-visualization/SKILL.md +289 -0
  57. package/data/skills/bio-clinical-databases-clinvar-lookup/SKILL.md +188 -0
  58. package/data/skills/bio-clinical-databases-dbsnp-queries/SKILL.md +171 -0
  59. package/data/skills/bio-clinical-databases-gnomad-frequencies/SKILL.md +205 -0
  60. package/data/skills/bio-clinical-databases-hla-typing/SKILL.md +248 -0
  61. package/data/skills/bio-clinical-databases-myvariant-queries/SKILL.md +174 -0
  62. package/data/skills/bio-clinical-databases-pharmacogenomics/SKILL.md +232 -0
  63. package/data/skills/bio-clinical-databases-polygenic-risk/SKILL.md +276 -0
  64. package/data/skills/bio-clinical-databases-somatic-signatures/SKILL.md +261 -0
  65. package/data/skills/bio-clinical-databases-tumor-mutational-burden/SKILL.md +301 -0
  66. package/data/skills/bio-clinical-databases-variant-prioritization/SKILL.md +225 -0
  67. package/data/skills/bio-clip-seq-binding-site-annotation/SKILL.md +66 -0
  68. package/data/skills/bio-clip-seq-clip-alignment/SKILL.md +70 -0
  69. package/data/skills/bio-clip-seq-clip-motif-analysis/SKILL.md +62 -0
  70. package/data/skills/bio-clip-seq-clip-peak-calling/SKILL.md +282 -0
  71. package/data/skills/bio-clip-seq-clip-preprocessing/SKILL.md +142 -0
  72. package/data/skills/bio-codon-usage/SKILL.md +353 -0
  73. package/data/skills/bio-comparative-genomics-ancestral-reconstruction/SKILL.md +312 -0
  74. package/data/skills/bio-comparative-genomics-hgt-detection/SKILL.md +341 -0
  75. package/data/skills/bio-comparative-genomics-ortholog-inference/SKILL.md +308 -0
  76. package/data/skills/bio-comparative-genomics-positive-selection/SKILL.md +354 -0
  77. package/data/skills/bio-comparative-genomics-synteny-analysis/SKILL.md +315 -0
  78. package/data/skills/bio-compressed-files/SKILL.md +263 -0
  79. package/data/skills/bio-consensus-sequences/SKILL.md +340 -0
  80. package/data/skills/bio-copy-number-cnv-annotation/SKILL.md +307 -0
  81. package/data/skills/bio-copy-number-cnv-visualization/SKILL.md +294 -0
  82. package/data/skills/bio-copy-number-cnvkit-analysis/SKILL.md +290 -0
  83. package/data/skills/bio-copy-number-gatk-cnv/SKILL.md +270 -0
  84. package/data/skills/bio-crispr-screens-base-editing-analysis/SKILL.md +110 -0
  85. package/data/skills/bio-crispr-screens-batch-correction/SKILL.md +316 -0
  86. package/data/skills/bio-crispr-screens-crispresso-editing/SKILL.md +205 -0
  87. package/data/skills/bio-crispr-screens-hit-calling/SKILL.md +264 -0
  88. package/data/skills/bio-crispr-screens-jacks-analysis/SKILL.md +313 -0
  89. package/data/skills/bio-crispr-screens-library-design/SKILL.md +417 -0
  90. package/data/skills/bio-crispr-screens-mageck-analysis/SKILL.md +222 -0
  91. package/data/skills/bio-crispr-screens-screen-qc/SKILL.md +243 -0
  92. package/data/skills/bio-ctdna-mutation-detection/SKILL.md +234 -0
  93. package/data/skills/bio-data-visualization-circos-plots/SKILL.md +405 -0
  94. package/data/skills/bio-data-visualization-color-palettes/SKILL.md +244 -0
  95. package/data/skills/bio-data-visualization-genome-browser-tracks/SKILL.md +328 -0
  96. package/data/skills/bio-data-visualization-genome-tracks/SKILL.md +249 -0
  97. package/data/skills/bio-data-visualization-ggplot2-fundamentals/SKILL.md +313 -0
  98. package/data/skills/bio-data-visualization-heatmaps-clustering/SKILL.md +227 -0
  99. package/data/skills/bio-data-visualization-interactive-visualization/SKILL.md +210 -0
  100. package/data/skills/bio-data-visualization-multipanel-figures/SKILL.md +274 -0
  101. package/data/skills/bio-data-visualization-specialized-omics-plots/SKILL.md +251 -0
  102. package/data/skills/bio-data-visualization-upset-plots/SKILL.md +228 -0
  103. package/data/skills/bio-data-visualization-volcano-customization/SKILL.md +233 -0
  104. package/data/skills/bio-de-deseq2-basics/SKILL.md +376 -0
  105. package/data/skills/bio-de-edger-basics/SKILL.md +418 -0
  106. package/data/skills/bio-de-results/SKILL.md +378 -0
  107. package/data/skills/bio-de-visualization/SKILL.md +408 -0
  108. package/data/skills/bio-differential-expression-batch-correction/SKILL.md +253 -0
  109. package/data/skills/bio-differential-expression-timeseries-de/SKILL.md +370 -0
  110. package/data/skills/bio-differential-splicing/SKILL.md +177 -0
  111. package/data/skills/bio-duplicate-handling/SKILL.md +292 -0
  112. package/data/skills/bio-entrez-fetch/SKILL.md +334 -0
  113. package/data/skills/bio-entrez-link/SKILL.md +325 -0
  114. package/data/skills/bio-entrez-search/SKILL.md +311 -0
  115. package/data/skills/bio-epidemiological-genomics-amr-surveillance/SKILL.md +233 -0
  116. package/data/skills/bio-epidemiological-genomics-pathogen-typing/SKILL.md +202 -0
  117. package/data/skills/bio-epidemiological-genomics-phylodynamics/SKILL.md +207 -0
  118. package/data/skills/bio-epidemiological-genomics-transmission-inference/SKILL.md +237 -0
  119. package/data/skills/bio-epidemiological-genomics-variant-surveillance/SKILL.md +237 -0
  120. package/data/skills/bio-epitranscriptomics-m6a-differential/SKILL.md +88 -0
  121. package/data/skills/bio-epitranscriptomics-m6a-peak-calling/SKILL.md +89 -0
  122. package/data/skills/bio-epitranscriptomics-m6anet-analysis/SKILL.md +101 -0
  123. package/data/skills/bio-epitranscriptomics-merip-preprocessing/SKILL.md +81 -0
  124. package/data/skills/bio-epitranscriptomics-modification-visualization/SKILL.md +98 -0
  125. package/data/skills/bio-experimental-design-batch-design/SKILL.md +110 -0
  126. package/data/skills/bio-experimental-design-multiple-testing/SKILL.md +98 -0
  127. package/data/skills/bio-experimental-design-power-analysis/SKILL.md +84 -0
  128. package/data/skills/bio-experimental-design-sample-size/SKILL.md +93 -0
  129. package/data/skills/bio-expression-matrix-counts-ingest/SKILL.md +220 -0
  130. package/data/skills/bio-expression-matrix-gene-id-mapping/SKILL.md +256 -0
  131. package/data/skills/bio-expression-matrix-metadata-joins/SKILL.md +271 -0
  132. package/data/skills/bio-expression-matrix-sparse-handling/SKILL.md +247 -0
  133. package/data/skills/bio-fastq-quality/SKILL.md +279 -0
  134. package/data/skills/bio-filter-sequences/SKILL.md +265 -0
  135. package/data/skills/bio-flow-cytometry-bead-normalization/SKILL.md +315 -0
  136. package/data/skills/bio-flow-cytometry-clustering-phenotyping/SKILL.md +237 -0
  137. package/data/skills/bio-flow-cytometry-compensation-transformation/SKILL.md +196 -0
  138. package/data/skills/bio-flow-cytometry-cytometry-qc/SKILL.md +382 -0
  139. package/data/skills/bio-flow-cytometry-differential-analysis/SKILL.md +217 -0
  140. package/data/skills/bio-flow-cytometry-doublet-detection/SKILL.md +288 -0
  141. package/data/skills/bio-flow-cytometry-fcs-handling/SKILL.md +221 -0
  142. package/data/skills/bio-flow-cytometry-gating-analysis/SKILL.md +193 -0
  143. package/data/skills/bio-format-conversion/SKILL.md +193 -0
  144. package/data/skills/bio-fragment-analysis/SKILL.md +214 -0
  145. package/data/skills/bio-gatk-variant-calling/SKILL.md +422 -0
  146. package/data/skills/bio-genome-assembly-assembly-polishing/SKILL.md +333 -0
  147. package/data/skills/bio-genome-assembly-assembly-qc/SKILL.md +344 -0
  148. package/data/skills/bio-genome-assembly-contamination-detection/SKILL.md +235 -0
  149. package/data/skills/bio-genome-assembly-hifi-assembly/SKILL.md +178 -0
  150. package/data/skills/bio-genome-assembly-long-read-assembly/SKILL.md +307 -0
  151. package/data/skills/bio-genome-assembly-metagenome-assembly/SKILL.md +227 -0
  152. package/data/skills/bio-genome-assembly-scaffolding/SKILL.md +204 -0
  153. package/data/skills/bio-genome-assembly-short-read-assembly/SKILL.md +319 -0
  154. package/data/skills/bio-genome-engineering-base-editing-design/SKILL.md +277 -0
  155. package/data/skills/bio-genome-engineering-grna-design/SKILL.md +221 -0
  156. package/data/skills/bio-genome-engineering-hdr-template-design/SKILL.md +264 -0
  157. package/data/skills/bio-genome-engineering-off-target-prediction/SKILL.md +232 -0
  158. package/data/skills/bio-genome-engineering-prime-editing-design/SKILL.md +275 -0
  159. package/data/skills/bio-genome-intervals-bed-file-basics/SKILL.md +357 -0
  160. package/data/skills/bio-genome-intervals-bigwig-tracks/SKILL.md +351 -0
  161. package/data/skills/bio-genome-intervals-coverage-analysis/SKILL.md +300 -0
  162. package/data/skills/bio-genome-intervals-gtf-gff-handling/SKILL.md +345 -0
  163. package/data/skills/bio-genome-intervals-interval-arithmetic/SKILL.md +485 -0
  164. package/data/skills/bio-genome-intervals-proximity-operations/SKILL.md +337 -0
  165. package/data/skills/bio-geo-data/SKILL.md +380 -0
  166. package/data/skills/bio-hi-c-analysis-compartment-analysis/SKILL.md +261 -0
  167. package/data/skills/bio-hi-c-analysis-contact-pairs/SKILL.md +278 -0
  168. package/data/skills/bio-hi-c-analysis-hic-data-io/SKILL.md +260 -0
  169. package/data/skills/bio-hi-c-analysis-hic-differential/SKILL.md +328 -0
  170. package/data/skills/bio-hi-c-analysis-hic-visualization/SKILL.md +297 -0
  171. package/data/skills/bio-hi-c-analysis-loop-calling/SKILL.md +284 -0
  172. package/data/skills/bio-hi-c-analysis-matrix-operations/SKILL.md +274 -0
  173. package/data/skills/bio-hi-c-analysis-tad-detection/SKILL.md +239 -0
  174. package/data/skills/bio-imaging-mass-cytometry-cell-segmentation/SKILL.md +241 -0
  175. package/data/skills/bio-imaging-mass-cytometry-data-preprocessing/SKILL.md +279 -0
  176. package/data/skills/bio-imaging-mass-cytometry-interactive-annotation/SKILL.md +304 -0
  177. package/data/skills/bio-imaging-mass-cytometry-phenotyping/SKILL.md +231 -0
  178. package/data/skills/bio-imaging-mass-cytometry-quality-metrics/SKILL.md +316 -0
  179. package/data/skills/bio-imaging-mass-cytometry-spatial-analysis/SKILL.md +246 -0
  180. package/data/skills/bio-immunoinformatics-epitope-prediction/SKILL.md +259 -0
  181. package/data/skills/bio-immunoinformatics-immunogenicity-scoring/SKILL.md +275 -0
  182. package/data/skills/bio-immunoinformatics-mhc-binding-prediction/SKILL.md +260 -0
  183. package/data/skills/bio-immunoinformatics-neoantigen-prediction/SKILL.md +277 -0
  184. package/data/skills/bio-immunoinformatics-tcr-epitope-binding/SKILL.md +257 -0
  185. package/data/skills/bio-isoform-switching/SKILL.md +192 -0
  186. package/data/skills/bio-liquid-biopsy-pipeline/SKILL.md +311 -0
  187. package/data/skills/bio-local-blast/SKILL.md +350 -0
  188. package/data/skills/bio-long-read-sequencing-clair3-variants/SKILL.md +252 -0
  189. package/data/skills/bio-long-read-sequencing-isoseq-analysis/SKILL.md +334 -0
  190. package/data/skills/bio-long-read-sequencing-nanopore-methylation/SKILL.md +110 -0
  191. package/data/skills/bio-longitudinal-monitoring/SKILL.md +271 -0
  192. package/data/skills/bio-longread-alignment/SKILL.md +193 -0
  193. package/data/skills/bio-longread-medaka/SKILL.md +176 -0
  194. package/data/skills/bio-longread-qc/SKILL.md +224 -0
  195. package/data/skills/bio-longread-structural-variants/SKILL.md +201 -0
  196. package/data/skills/bio-machine-learning-atlas-mapping/SKILL.md +139 -0
  197. package/data/skills/bio-machine-learning-biomarker-discovery/SKILL.md +157 -0
  198. package/data/skills/bio-machine-learning-model-validation/SKILL.md +148 -0
  199. package/data/skills/bio-machine-learning-omics-classifiers/SKILL.md +146 -0
  200. package/data/skills/bio-machine-learning-prediction-explanation/SKILL.md +162 -0
  201. package/data/skills/bio-machine-learning-survival-analysis/SKILL.md +176 -0
  202. package/data/skills/bio-metabolomics-lipidomics/SKILL.md +265 -0
  203. package/data/skills/bio-metabolomics-metabolite-annotation/SKILL.md +241 -0
  204. package/data/skills/bio-metabolomics-msdial-preprocessing/SKILL.md +308 -0
  205. package/data/skills/bio-metabolomics-normalization-qc/SKILL.md +283 -0
  206. package/data/skills/bio-metabolomics-pathway-mapping/SKILL.md +237 -0
  207. package/data/skills/bio-metabolomics-statistical-analysis/SKILL.md +276 -0
  208. package/data/skills/bio-metabolomics-targeted-analysis/SKILL.md +314 -0
  209. package/data/skills/bio-metabolomics-xcms-preprocessing/SKILL.md +268 -0
  210. package/data/skills/bio-metagenomics-abundance/SKILL.md +203 -0
  211. package/data/skills/bio-metagenomics-amr-detection/SKILL.md +293 -0
  212. package/data/skills/bio-metagenomics-functional-profiling/SKILL.md +252 -0
  213. package/data/skills/bio-metagenomics-kraken/SKILL.md +204 -0
  214. package/data/skills/bio-metagenomics-metaphlan/SKILL.md +214 -0
  215. package/data/skills/bio-metagenomics-strain-tracking/SKILL.md +292 -0
  216. package/data/skills/bio-metagenomics-visualization/SKILL.md +240 -0
  217. package/data/skills/bio-methylation-based-detection/SKILL.md +223 -0
  218. package/data/skills/bio-methylation-bismark-alignment/SKILL.md +195 -0
  219. package/data/skills/bio-methylation-calling/SKILL.md +200 -0
  220. package/data/skills/bio-methylation-dmr-detection/SKILL.md +211 -0
  221. package/data/skills/bio-methylation-methylkit/SKILL.md +219 -0
  222. package/data/skills/bio-microbiome-amplicon-processing/SKILL.md +137 -0
  223. package/data/skills/bio-microbiome-differential-abundance/SKILL.md +147 -0
  224. package/data/skills/bio-microbiome-diversity-analysis/SKILL.md +188 -0
  225. package/data/skills/bio-microbiome-functional-prediction/SKILL.md +153 -0
  226. package/data/skills/bio-microbiome-qiime2-workflow/SKILL.md +219 -0
  227. package/data/skills/bio-microbiome-taxonomy-assignment/SKILL.md +168 -0
  228. package/data/skills/bio-molecular-descriptors/SKILL.md +200 -0
  229. package/data/skills/bio-molecular-io/SKILL.md +188 -0
  230. package/data/skills/bio-motif-search/SKILL.md +354 -0
  231. package/data/skills/bio-multi-omics-data-harmonization/SKILL.md +228 -0
  232. package/data/skills/bio-multi-omics-mixomics-analysis/SKILL.md +221 -0
  233. package/data/skills/bio-multi-omics-mofa-integration/SKILL.md +225 -0
  234. package/data/skills/bio-multi-omics-similarity-network/SKILL.md +235 -0
  235. package/data/skills/bio-orchestrator/SKILL.md +133 -0
  236. package/data/skills/bio-paired-end-fastq/SKILL.md +334 -0
  237. package/data/skills/bio-pathway-enrichment-visualization/SKILL.md +278 -0
  238. package/data/skills/bio-pathway-go-enrichment/SKILL.md +218 -0
  239. package/data/skills/bio-pathway-gsea/SKILL.md +227 -0
  240. package/data/skills/bio-pathway-kegg-pathways/SKILL.md +234 -0
  241. package/data/skills/bio-pathway-reactome/SKILL.md +215 -0
  242. package/data/skills/bio-pathway-wikipathways/SKILL.md +255 -0
  243. package/data/skills/bio-pdb-geometric-analysis/SKILL.md +475 -0
  244. package/data/skills/bio-pdb-structure-io/SKILL.md +296 -0
  245. package/data/skills/bio-pdb-structure-modification/SKILL.md +448 -0
  246. package/data/skills/bio-pdb-structure-navigation/SKILL.md +335 -0
  247. package/data/skills/bio-phasing-imputation-genotype-imputation/SKILL.md +201 -0
  248. package/data/skills/bio-phasing-imputation-haplotype-phasing/SKILL.md +190 -0
  249. package/data/skills/bio-phasing-imputation-imputation-qc/SKILL.md +265 -0
  250. package/data/skills/bio-phasing-imputation-reference-panels/SKILL.md +203 -0
  251. package/data/skills/bio-phylo-distance-calculations/SKILL.md +307 -0
  252. package/data/skills/bio-phylo-modern-tree-inference/SKILL.md +274 -0
  253. package/data/skills/bio-phylo-tree-io/SKILL.md +252 -0
  254. package/data/skills/bio-phylo-tree-manipulation/SKILL.md +375 -0
  255. package/data/skills/bio-phylo-tree-visualization/SKILL.md +275 -0
  256. package/data/skills/bio-pileup-generation/SKILL.md +314 -0
  257. package/data/skills/bio-population-genetics-association-testing/SKILL.md +293 -0
  258. package/data/skills/bio-population-genetics-linkage-disequilibrium/SKILL.md +260 -0
  259. package/data/skills/bio-population-genetics-plink-basics/SKILL.md +338 -0
  260. package/data/skills/bio-population-genetics-population-structure/SKILL.md +352 -0
  261. package/data/skills/bio-population-genetics-scikit-allel-analysis/SKILL.md +306 -0
  262. package/data/skills/bio-population-genetics-selection-statistics/SKILL.md +251 -0
  263. package/data/skills/bio-primer-design-primer-basics/SKILL.md +289 -0
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@@ -0,0 +1,714 @@
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+ ---
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+ name: brenda-database
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+ description: "Access BRENDA enzyme database via SOAP API. Retrieve kinetic parameters (Km, kcat), reaction equations, organism data, and substrate-specific enzyme information for biochemical research and metabolic pathway analysis."
4
+ ---
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+
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+ # BRENDA Database
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+
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+ ## Overview
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+
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+ BRENDA (BRaunschweig ENzyme DAtabase) is the world's most comprehensive enzyme information system, containing detailed enzyme data from scientific literature. Query kinetic parameters (Km, kcat), reaction equations, substrate specificities, organism information, and optimal conditions for enzymes using the official SOAP API. Access over 45,000 enzymes with millions of kinetic data points for biochemical research, metabolic engineering, and enzyme discovery.
11
+
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+ ## When to Use This Skill
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+
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+ This skill should be used when:
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+ - Searching for enzyme kinetic parameters (Km, kcat, Vmax)
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+ - Retrieving reaction equations and stoichiometry
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+ - Finding enzymes for specific substrates or reactions
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+ - Comparing enzyme properties across different organisms
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+ - Investigating optimal pH, temperature, and conditions
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+ - Accessing enzyme inhibition and activation data
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+ - Supporting metabolic pathway reconstruction and retrosynthesis
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+ - Performing enzyme engineering and optimization studies
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+ - Analyzing substrate specificity and cofactor requirements
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+
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+ ## Core Capabilities
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+
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+ ### 1. Kinetic Parameter Retrieval
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+
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+ Access comprehensive kinetic data for enzymes:
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+
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+ **Get Km Values by EC Number**:
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+ ```python
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+ from brenda_client import get_km_values
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+
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+ # Get Km values for all organisms
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+ km_data = get_km_values("1.1.1.1") # Alcohol dehydrogenase
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+
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+ # Get Km values for specific organism
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+ km_data = get_km_values("1.1.1.1", organism="Saccharomyces cerevisiae")
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+
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+ # Get Km values for specific substrate
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+ km_data = get_km_values("1.1.1.1", substrate="ethanol")
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+ ```
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+
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+ **Parse Km Results**:
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+ ```python
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+ for entry in km_data:
48
+ print(f"Km: {entry}")
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+ # Example output: "organism*Homo sapiens#substrate*ethanol#kmValue*1.2#commentary*"
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+ ```
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+
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+ **Extract Specific Information**:
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+ ```python
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+ from scripts.brenda_queries import parse_km_entry, extract_organism_data
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+
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+ for entry in km_data:
57
+ parsed = parse_km_entry(entry)
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+ organism = extract_organism_data(entry)
59
+ print(f"Organism: {parsed['organism']}")
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+ print(f"Substrate: {parsed['substrate']}")
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+ print(f"Km value: {parsed['km_value']}")
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+ print(f"pH: {parsed.get('ph', 'N/A')}")
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+ print(f"Temperature: {parsed.get('temperature', 'N/A')}")
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+ ```
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+
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+ ### 2. Reaction Information
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+
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+ Retrieve reaction equations and details:
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+
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+ **Get Reactions by EC Number**:
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+ ```python
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+ from brenda_client import get_reactions
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+
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+ # Get all reactions for EC number
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+ reactions = get_reactions("1.1.1.1")
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+
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+ # Filter by organism
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+ reactions = get_reactions("1.1.1.1", organism="Escherichia coli")
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+
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+ # Search specific reaction
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+ reactions = get_reactions("1.1.1.1", reaction="ethanol + NAD+")
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+ ```
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+
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+ **Process Reaction Data**:
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+ ```python
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+ from scripts.brenda_queries import parse_reaction_entry, extract_substrate_products
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+
88
+ for reaction in reactions:
89
+ parsed = parse_reaction_entry(reaction)
90
+ substrates, products = extract_substrate_products(reaction)
91
+
92
+ print(f"Reaction: {parsed['reaction']}")
93
+ print(f"Organism: {parsed['organism']}")
94
+ print(f"Substrates: {substrates}")
95
+ print(f"Products: {products}")
96
+ ```
97
+
98
+ ### 3. Enzyme Discovery
99
+
100
+ Find enzymes for specific biochemical transformations:
101
+
102
+ **Find Enzymes by Substrate**:
103
+ ```python
104
+ from scripts.brenda_queries import search_enzymes_by_substrate
105
+
106
+ # Find enzymes that act on glucose
107
+ enzymes = search_enzymes_by_substrate("glucose", limit=20)
108
+
109
+ for enzyme in enzymes:
110
+ print(f"EC: {enzyme['ec_number']}")
111
+ print(f"Name: {enzyme['enzyme_name']}")
112
+ print(f"Reaction: {enzyme['reaction']}")
113
+ ```
114
+
115
+ **Find Enzymes by Product**:
116
+ ```python
117
+ from scripts.brenda_queries import search_enzymes_by_product
118
+
119
+ # Find enzymes that produce lactate
120
+ enzymes = search_enzymes_by_product("lactate", limit=10)
121
+ ```
122
+
123
+ **Search by Reaction Pattern**:
124
+ ```python
125
+ from scripts.brenda_queries import search_by_pattern
126
+
127
+ # Find oxidation reactions
128
+ enzymes = search_by_pattern("oxidation", limit=15)
129
+ ```
130
+
131
+ ### 4. Organism-Specific Enzyme Data
132
+
133
+ Compare enzyme properties across organisms:
134
+
135
+ **Get Enzyme Data for Multiple Organisms**:
136
+ ```python
137
+ from scripts.brenda_queries import compare_across_organisms
138
+
139
+ organisms = ["Escherichia coli", "Saccharomyces cerevisiae", "Homo sapiens"]
140
+ comparison = compare_across_organisms("1.1.1.1", organisms)
141
+
142
+ for org_data in comparison:
143
+ print(f"Organism: {org_data['organism']}")
144
+ print(f"Avg Km: {org_data['average_km']}")
145
+ print(f"Optimal pH: {org_data['optimal_ph']}")
146
+ print(f"Temperature range: {org_data['temperature_range']}")
147
+ ```
148
+
149
+ **Find Organisms with Specific Enzyme**:
150
+ ```python
151
+ from scripts.brenda_queries import get_organisms_for_enzyme
152
+
153
+ organisms = get_organisms_for_enzyme("6.3.5.5") # Glutamine synthetase
154
+ print(f"Found {len(organisms)} organisms with this enzyme")
155
+ ```
156
+
157
+ ### 5. Environmental Parameters
158
+
159
+ Access optimal conditions and environmental parameters:
160
+
161
+ **Get pH and Temperature Data**:
162
+ ```python
163
+ from scripts.brenda_queries import get_environmental_parameters
164
+
165
+ params = get_environmental_parameters("1.1.1.1")
166
+
167
+ print(f"Optimal pH range: {params['ph_range']}")
168
+ print(f"Optimal temperature: {params['optimal_temperature']}")
169
+ print(f"Stability pH: {params['stability_ph']}")
170
+ print(f"Temperature stability: {params['temperature_stability']}")
171
+ ```
172
+
173
+ **Cofactor Requirements**:
174
+ ```python
175
+ from scripts.brenda_queries import get_cofactor_requirements
176
+
177
+ cofactors = get_cofactor_requirements("1.1.1.1")
178
+ for cofactor in cofactors:
179
+ print(f"Cofactor: {cofactor['name']}")
180
+ print(f"Type: {cofactor['type']}")
181
+ print(f"Concentration: {cofactor['concentration']}")
182
+ ```
183
+
184
+ ### 6. Substrate Specificity
185
+
186
+ Analyze enzyme substrate preferences:
187
+
188
+ **Get Substrate Specificity Data**:
189
+ ```python
190
+ from scripts.brenda_queries import get_substrate_specificity
191
+
192
+ specificity = get_substrate_specificity("1.1.1.1")
193
+
194
+ for substrate in specificity:
195
+ print(f"Substrate: {substrate['name']}")
196
+ print(f"Km: {substrate['km']}")
197
+ print(f"Vmax: {substrate['vmax']}")
198
+ print(f"kcat: {substrate['kcat']}")
199
+ print(f"Specificity constant: {substrate['kcat_km_ratio']}")
200
+ ```
201
+
202
+ **Compare Substrate Preferences**:
203
+ ```python
204
+ from scripts.brenda_queries import compare_substrate_affinity
205
+
206
+ comparison = compare_substrate_affinity("1.1.1.1")
207
+ sorted_by_km = sorted(comparison, key=lambda x: x['km'])
208
+
209
+ for substrate in sorted_by_km[:5]: # Top 5 lowest Km
210
+ print(f"{substrate['name']}: Km = {substrate['km']}")
211
+ ```
212
+
213
+ ### 7. Inhibition and Activation
214
+
215
+ Access enzyme regulation data:
216
+
217
+ **Get Inhibitor Information**:
218
+ ```python
219
+ from scripts.brenda_queries import get_inhibitors
220
+
221
+ inhibitors = get_inhibitors("1.1.1.1")
222
+
223
+ for inhibitor in inhibitors:
224
+ print(f"Inhibitor: {inhibitor['name']}")
225
+ print(f"Type: {inhibitor['type']}")
226
+ print(f"Ki: {inhibitor['ki']}")
227
+ print(f"IC50: {inhibitor['ic50']}")
228
+ ```
229
+
230
+ **Get Activator Information**:
231
+ ```python
232
+ from scripts.brenda_queries import get_activators
233
+
234
+ activators = get_activators("1.1.1.1")
235
+
236
+ for activator in activators:
237
+ print(f"Activator: {activator['name']}")
238
+ print(f"Effect: {activator['effect']}")
239
+ print(f"Mechanism: {activator['mechanism']}")
240
+ ```
241
+
242
+ ### 8. Enzyme Engineering Support
243
+
244
+ Find engineering targets and alternatives:
245
+
246
+ **Find Thermophilic Homologs**:
247
+ ```python
248
+ from scripts.brenda_queries import find_thermophilic_homologs
249
+
250
+ thermophilic = find_thermophilic_homologs("1.1.1.1", min_temp=50)
251
+
252
+ for enzyme in thermophilic:
253
+ print(f"Organism: {enzyme['organism']}")
254
+ print(f"Optimal temp: {enzyme['optimal_temperature']}")
255
+ print(f"Km: {enzyme['km']}")
256
+ ```
257
+
258
+ **Find Alkaline/ Acid Stable Variants**:
259
+ ```python
260
+ from scripts.brenda_queries import find_ph_stable_variants
261
+
262
+ alkaline = find_ph_stable_variants("1.1.1.1", min_ph=8.0)
263
+ acidic = find_ph_stable_variants("1.1.1.1", max_ph=6.0)
264
+ ```
265
+
266
+ ### 9. Kinetic Modeling
267
+
268
+ Prepare data for kinetic modeling:
269
+
270
+ **Get Kinetic Parameters for Modeling**:
271
+ ```python
272
+ from scripts.brenda_queries import get_modeling_parameters
273
+
274
+ model_data = get_modeling_parameters("1.1.1.1", substrate="ethanol")
275
+
276
+ print(f"Km: {model_data['km']}")
277
+ print(f"Vmax: {model_data['vmax']}")
278
+ print(f"kcat: {model_data['kcat']}")
279
+ print(f"Enzyme concentration: {model_data['enzyme_conc']}")
280
+ print(f"Temperature: {model_data['temperature']}")
281
+ print(f"pH: {model_data['ph']}")
282
+ ```
283
+
284
+ **Generate Michaelis-Menten Plots**:
285
+ ```python
286
+ from scripts.brenda_visualization import plot_michaelis_menten
287
+
288
+ # Generate kinetic plots
289
+ plot_michaelis_menten("1.1.1.1", substrate="ethanol")
290
+ ```
291
+
292
+ ## Installation Requirements
293
+
294
+ ```bash
295
+ uv pip install zeep requests pandas matplotlib seaborn
296
+ ```
297
+
298
+ ## Authentication Setup
299
+
300
+ BRENDA requires authentication credentials:
301
+
302
+ 1. **Create .env file**:
303
+ ```
304
+ BRENDA_EMAIL=your.email@example.com
305
+ BRENDA_PASSWORD=your_brenda_password
306
+ ```
307
+
308
+ 2. **Or set environment variables**:
309
+ ```bash
310
+ export BRENDA_EMAIL="your.email@example.com"
311
+ export BRENDA_PASSWORD="your_brenda_password"
312
+ ```
313
+
314
+ 3. **Register for BRENDA access**:
315
+ - Visit https://www.brenda-enzymes.org/
316
+ - Create an account
317
+ - Check your email for credentials
318
+ - Note: There's also `BRENDA_EMIAL` (note the typo) for legacy support
319
+
320
+ ## Helper Scripts
321
+
322
+ This skill includes comprehensive Python scripts for BRENDA database queries:
323
+
324
+ ### scripts/brenda_queries.py
325
+
326
+ Provides high-level functions for enzyme data analysis:
327
+
328
+ **Key Functions**:
329
+ - `parse_km_entry(entry)`: Parse BRENDA Km data entries
330
+ - `parse_reaction_entry(entry)`: Parse reaction data entries
331
+ - `extract_organism_data(entry)`: Extract organism-specific information
332
+ - `search_enzymes_by_substrate(substrate, limit)`: Find enzymes for substrates
333
+ - `search_enzymes_by_product(product, limit)`: Find enzymes producing products
334
+ - `compare_across_organisms(ec_number, organisms)`: Compare enzyme properties
335
+ - `get_environmental_parameters(ec_number)`: Get pH and temperature data
336
+ - `get_cofactor_requirements(ec_number)`: Get cofactor information
337
+ - `get_substrate_specificity(ec_number)`: Analyze substrate preferences
338
+ - `get_inhibitors(ec_number)`: Get enzyme inhibition data
339
+ - `get_activators(ec_number)`: Get enzyme activation data
340
+ - `find_thermophilic_homologs(ec_number, min_temp)`: Find heat-stable variants
341
+ - `get_modeling_parameters(ec_number, substrate)`: Get parameters for kinetic modeling
342
+ - `export_kinetic_data(ec_number, format, filename)`: Export data to file
343
+
344
+ **Usage**:
345
+ ```python
346
+ from scripts.brenda_queries import search_enzymes_by_substrate, compare_across_organisms
347
+
348
+ # Search for enzymes
349
+ enzymes = search_enzymes_by_substrate("glucose", limit=20)
350
+
351
+ # Compare across organisms
352
+ comparison = compare_across_organisms("1.1.1.1", ["E. coli", "S. cerevisiae"])
353
+ ```
354
+
355
+ ### scripts/brenda_visualization.py
356
+
357
+ Provides visualization functions for enzyme data:
358
+
359
+ **Key Functions**:
360
+ - `plot_kinetic_parameters(ec_number)`: Plot Km and kcat distributions
361
+ - `plot_organism_comparison(ec_number, organisms)`: Compare organisms
362
+ - `plot_pH_profiles(ec_number)`: Plot pH activity profiles
363
+ - `plot_temperature_profiles(ec_number)`: Plot temperature activity profiles
364
+ - `plot_substrate_specificity(ec_number)`: Visualize substrate preferences
365
+ - `plot_michaelis_menten(ec_number, substrate)`: Generate kinetic curves
366
+ - `create_heatmap_data(enzymes, parameters)`: Create data for heatmaps
367
+ - `generate_summary_plots(ec_number)`: Create comprehensive enzyme overview
368
+
369
+ **Usage**:
370
+ ```python
371
+ from scripts.brenda_visualization import plot_kinetic_parameters, plot_michaelis_menten
372
+
373
+ # Plot kinetic parameters
374
+ plot_kinetic_parameters("1.1.1.1")
375
+
376
+ # Generate Michaelis-Menten curve
377
+ plot_michaelis_menten("1.1.1.1", substrate="ethanol")
378
+ ```
379
+
380
+ ### scripts/enzyme_pathway_builder.py
381
+
382
+ Build enzymatic pathways and retrosynthetic routes:
383
+
384
+ **Key Functions**:
385
+ - `find_pathway_for_product(product, max_steps)`: Find enzymatic pathways
386
+ - `build_retrosynthetic_tree(target, depth)`: Build retrosynthetic tree
387
+ - `suggest_enzyme_substitutions(ec_number, criteria)`: Suggest enzyme alternatives
388
+ - `calculate_pathway_feasibility(pathway)`: Evaluate pathway viability
389
+ - `optimize_pathway_conditions(pathway)`: Suggest optimal conditions
390
+ - `generate_pathway_report(pathway, filename)`: Create detailed pathway report
391
+
392
+ **Usage**:
393
+ ```python
394
+ from scripts.enzyme_pathway_builder import find_pathway_for_product, build_retrosynthetic_tree
395
+
396
+ # Find pathway to product
397
+ pathway = find_pathway_for_product("lactate", max_steps=3)
398
+
399
+ # Build retrosynthetic tree
400
+ tree = build_retrosynthetic_tree("lactate", depth=2)
401
+ ```
402
+
403
+ ## API Rate Limits and Best Practices
404
+
405
+ **Rate Limits**:
406
+ - BRENDA API has moderate rate limiting
407
+ - Recommended: 1 request per second for sustained usage
408
+ - Maximum: 5 requests per 10 seconds
409
+
410
+ **Best Practices**:
411
+ 1. **Cache results**: Store frequently accessed enzyme data locally
412
+ 2. **Batch queries**: Combine related requests when possible
413
+ 3. **Use specific searches**: Narrow down by organism, substrate when possible
414
+ 4. **Handle missing data**: Not all enzymes have complete data
415
+ 5. **Validate EC numbers**: Ensure EC numbers are in correct format
416
+ 6. **Implement delays**: Add delays between consecutive requests
417
+ 7. **Use wildcards wisely**: Use '*' for broader searches when appropriate
418
+ 8. **Monitor quota**: Track your API usage
419
+
420
+ **Error Handling**:
421
+ ```python
422
+ from brenda_client import get_km_values, get_reactions
423
+ from zeep.exceptions import Fault, TransportError
424
+
425
+ try:
426
+ km_data = get_km_values("1.1.1.1")
427
+ except RuntimeError as e:
428
+ print(f"Authentication error: {e}")
429
+ except Fault as e:
430
+ print(f"BRENDA API error: {e}")
431
+ except TransportError as e:
432
+ print(f"Network error: {e}")
433
+ except Exception as e:
434
+ print(f"Unexpected error: {e}")
435
+ ```
436
+
437
+ ## Common Workflows
438
+
439
+ ### Workflow 1: Enzyme Discovery for New Substrate
440
+
441
+ Find suitable enzymes for a specific substrate:
442
+
443
+ ```python
444
+ from brenda_client import get_km_values
445
+ from scripts.brenda_queries import search_enzymes_by_substrate, compare_substrate_affinity
446
+
447
+ # Search for enzymes that act on substrate
448
+ substrate = "2-phenylethanol"
449
+ enzymes = search_enzymes_by_substrate(substrate, limit=15)
450
+
451
+ print(f"Found {len(enzymes)} enzymes for {substrate}")
452
+ for enzyme in enzymes:
453
+ print(f"EC {enzyme['ec_number']}: {enzyme['enzyme_name']}")
454
+
455
+ # Get kinetic data for best candidates
456
+ if enzymes:
457
+ best_ec = enzymes[0]['ec_number']
458
+ km_data = get_km_values(best_ec, substrate=substrate)
459
+
460
+ if km_data:
461
+ print(f"Kinetic data for {best_ec}:")
462
+ for entry in km_data[:3]: # First 3 entries
463
+ print(f" {entry}")
464
+ ```
465
+
466
+ ### Workflow 2: Cross-Organism Enzyme Comparison
467
+
468
+ Compare enzyme properties across different organisms:
469
+
470
+ ```python
471
+ from scripts.brenda_queries import compare_across_organisms, get_environmental_parameters
472
+
473
+ # Define organisms for comparison
474
+ organisms = [
475
+ "Escherichia coli",
476
+ "Saccharomyces cerevisiae",
477
+ "Bacillus subtilis",
478
+ "Thermus thermophilus"
479
+ ]
480
+
481
+ # Compare alcohol dehydrogenase
482
+ comparison = compare_across_organisms("1.1.1.1", organisms)
483
+
484
+ print("Cross-organism comparison:")
485
+ for org_data in comparison:
486
+ print(f"\n{org_data['organism']}:")
487
+ print(f" Average Km: {org_data['average_km']}")
488
+ print(f" Optimal pH: {org_data['optimal_ph']}")
489
+ print(f" Temperature: {org_data['optimal_temperature']}°C")
490
+
491
+ # Get detailed environmental parameters
492
+ env_params = get_environmental_parameters("1.1.1.1")
493
+ print(f"\nOverall optimal pH range: {env_params['ph_range']}")
494
+ ```
495
+
496
+ ### Workflow 3: Enzyme Engineering Target Identification
497
+
498
+ Find engineering opportunities for enzyme improvement:
499
+
500
+ ```python
501
+ from scripts.brenda_queries import (
502
+ find_thermophilic_homologs,
503
+ find_ph_stable_variants,
504
+ compare_substrate_affinity
505
+ )
506
+
507
+ # Find thermophilic variants for heat stability
508
+ thermophilic = find_thermophilic_homologs("1.1.1.1", min_temp=50)
509
+ print(f"Found {len(thermophilic)} thermophilic variants")
510
+
511
+ # Find alkaline-stable variants
512
+ alkaline = find_ph_stable_variants("1.1.1.1", min_ph=8.0)
513
+ print(f"Found {len(alkaline)} alkaline-stable variants")
514
+
515
+ # Compare substrate specificities for engineering targets
516
+ specificity = compare_substrate_affinity("1.1.1.1")
517
+ print("Substrate affinity ranking:")
518
+ for i, sub in enumerate(specificity[:5]):
519
+ print(f" {i+1}. {sub['name']}: Km = {sub['km']}")
520
+ ```
521
+
522
+ ### Workflow 4: Enzymatic Pathway Construction
523
+
524
+ Build enzymatic synthesis pathways:
525
+
526
+ ```python
527
+ from scripts.enzyme_pathway_builder import (
528
+ find_pathway_for_product,
529
+ build_retrosynthetic_tree,
530
+ calculate_pathway_feasibility
531
+ )
532
+
533
+ # Find pathway to target product
534
+ target = "lactate"
535
+ pathway = find_pathway_for_product(target, max_steps=3)
536
+
537
+ if pathway:
538
+ print(f"Found pathway to {target}:")
539
+ for i, step in enumerate(pathway['steps']):
540
+ print(f" Step {i+1}: {step['reaction']}")
541
+ print(f" Enzyme: EC {step['ec_number']}")
542
+ print(f" Organism: {step['organism']}")
543
+
544
+ # Evaluate pathway feasibility
545
+ feasibility = calculate_pathway_feasibility(pathway)
546
+ print(f"\nPathway feasibility score: {feasibility['score']}/10")
547
+ print(f"Potential issues: {feasibility['warnings']}")
548
+ ```
549
+
550
+ ### Workflow 5: Kinetic Parameter Analysis
551
+
552
+ Comprehensive kinetic analysis for enzyme selection:
553
+
554
+ ```python
555
+ from brenda_client import get_km_values
556
+ from scripts.brenda_queries import parse_km_entry, get_modeling_parameters
557
+ from scripts.brenda_visualization import plot_kinetic_parameters
558
+
559
+ # Get comprehensive kinetic data
560
+ ec_number = "1.1.1.1"
561
+ km_data = get_km_values(ec_number)
562
+
563
+ # Analyze kinetic parameters
564
+ all_entries = []
565
+ for entry in km_data:
566
+ parsed = parse_km_entry(entry)
567
+ if parsed['km_value']:
568
+ all_entries.append(parsed)
569
+
570
+ print(f"Analyzed {len(all_entries)} kinetic entries")
571
+
572
+ # Find best kinetic performer
573
+ best_km = min(all_entries, key=lambda x: x['km_value'])
574
+ print(f"\nBest kinetic performer:")
575
+ print(f" Organism: {best_km['organism']}")
576
+ print(f" Substrate: {best_km['substrate']}")
577
+ print(f" Km: {best_km['km_value']}")
578
+
579
+ # Get modeling parameters
580
+ model_data = get_modeling_parameters(ec_number, substrate=best_km['substrate'])
581
+ print(f"\nModeling parameters:")
582
+ print(f" Km: {model_data['km']}")
583
+ print(f" kcat: {model_data['kcat']}")
584
+ print(f" Vmax: {model_data['vmax']}")
585
+
586
+ # Generate visualization
587
+ plot_kinetic_parameters(ec_number)
588
+ ```
589
+
590
+ ### Workflow 6: Industrial Enzyme Selection
591
+
592
+ Select enzymes for industrial applications:
593
+
594
+ ```python
595
+ from scripts.brenda_queries import (
596
+ find_thermophilic_homologs,
597
+ get_environmental_parameters,
598
+ get_inhibitors
599
+ )
600
+
601
+ # Industrial criteria: high temperature tolerance, organic solvent resistance
602
+ target_enzyme = "1.1.1.1"
603
+
604
+ # Find thermophilic variants
605
+ thermophilic = find_thermophilic_homologs(target_enzyme, min_temp=60)
606
+ print(f"Thermophilic candidates: {len(thermophilic)}")
607
+
608
+ # Check solvent tolerance (inhibitor data)
609
+ inhibitors = get_inhibitors(target_enzyme)
610
+ solvent_tolerant = [
611
+ inv for inv in inhibitors
612
+ if 'ethanol' not in inv['name'].lower() and
613
+ 'methanol' not in inv['name'].lower()
614
+ ]
615
+
616
+ print(f"Solvent tolerant candidates: {len(solvent_tolerant)}")
617
+
618
+ # Evaluate top candidates
619
+ for candidate in thermophilic[:3]:
620
+ print(f"\nCandidate: {candidate['organism']}")
621
+ print(f" Optimal temp: {candidate['optimal_temperature']}°C")
622
+ print(f" Km: {candidate['km']}")
623
+ print(f" pH range: {candidate.get('ph_range', 'N/A')}")
624
+ ```
625
+
626
+ ## Data Formats and Parsing
627
+
628
+ ### BRENDA Response Format
629
+
630
+ BRENDA returns data in specific formats that need parsing:
631
+
632
+ **Km Value Format**:
633
+ ```
634
+ organism*Escherichia coli#substrate*ethanol#kmValue*1.2#kmValueMaximum*#commentary*pH 7.4, 25°C#ligandStructureId*#literature*
635
+ ```
636
+
637
+ **Reaction Format**:
638
+ ```
639
+ ecNumber*1.1.1.1#organism*Saccharomyces cerevisiae#reaction*ethanol + NAD+ <=> acetaldehyde + NADH + H+#commentary*#literature*
640
+ ```
641
+
642
+ ### Data Extraction Patterns
643
+
644
+ ```python
645
+ import re
646
+
647
+ def parse_brenda_field(data, field_name):
648
+ """Extract specific field from BRENDA data entry"""
649
+ pattern = f"{field_name}\\*([^#]*)"
650
+ match = re.search(pattern, data)
651
+ return match.group(1) if match else None
652
+
653
+ def extract_multiple_values(data, field_name):
654
+ """Extract multiple values for a field"""
655
+ pattern = f"{field_name}\\*([^#]*)"
656
+ matches = re.findall(pattern, data)
657
+ return [match for match in matches if match.strip()]
658
+ ```
659
+
660
+ ## Reference Documentation
661
+
662
+ For detailed BRENDA documentation, see `references/api_reference.md`. This includes:
663
+ - Complete SOAP API method documentation
664
+ - Full parameter lists and formats
665
+ - EC number structure and validation
666
+ - Response format specifications
667
+ - Error codes and handling
668
+ - Data field definitions
669
+ - Literature citation formats
670
+
671
+ ## Troubleshooting
672
+
673
+ **Authentication Errors**:
674
+ - Verify BRENDA_EMAIL and BRENDA_PASSWORD in .env file
675
+ - Check for correct spelling (note BRENDA_EMIAL legacy support)
676
+ - Ensure BRENDA account is active and has API access
677
+
678
+ **No Results Returned**:
679
+ - Try broader searches with wildcards (*)
680
+ - Check EC number format (e.g., "1.1.1.1" not "1.1.1")
681
+ - Verify substrate spelling and naming
682
+ - Some enzymes may have limited data in BRENDA
683
+
684
+ **Rate Limiting**:
685
+ - Add delays between requests (0.5-1 second)
686
+ - Cache results locally
687
+ - Use more specific queries to reduce data volume
688
+ - Consider batch operations for multiple queries
689
+
690
+ **Network Errors**:
691
+ - Check internet connection
692
+ - BRENDA server may be temporarily unavailable
693
+ - Try again after a few minutes
694
+ - Consider using VPN if geo-restricted
695
+
696
+ **Data Format Issues**:
697
+ - Use the provided parsing functions in scripts
698
+ - BRENDA data can be inconsistent in formatting
699
+ - Handle missing fields gracefully
700
+ - Validate parsed data before use
701
+
702
+ **Performance Issues**:
703
+ - Large queries can be slow; limit search scope
704
+ - Use specific organism or substrate filters
705
+ - Consider asynchronous processing for batch operations
706
+ - Monitor memory usage with large datasets
707
+
708
+ ## Additional Resources
709
+
710
+ - BRENDA Home: https://www.brenda-enzymes.org/
711
+ - BRENDA SOAP API Documentation: https://www.brenda-enzymes.org/soap.php
712
+ - Enzyme Commission (EC) Numbers: https://www.qmul.ac.uk/sbcs/iubmb/enzyme/
713
+ - Zeep SOAP Client: https://python-zeep.readthedocs.io/
714
+ - Enzyme Nomenclature: https://www.iubmb.org/enzyme/