##----包含=错误----------------------------------------------------------knitr::opts_chunk$set(塌陷=真,comment=“#>”)##----评估=假---------------------------------------------------------------#if(!requireNamespace(“BiocManager”,悄悄地=TRUE))#install.packages(“BiocManager”)#BiocManager::install(“brendaDb”,依赖项=TRUE)##----设置,消息=FALSE-----------------------------------------------------if(!requireNamespace(“brendaDb”)){开发工具::install_github(“y1zhou/brendaDb”)}## -----------------------------------------------------------------------------库(brendaDb)##----评估=错误---------------------------------------------------------------#brenda.filepath<-下载brenda()##>请阅读下面链接中的许可协议。# #># #> https://www.brenda-enzymes.org/download_brenda_without_registration.php# #>##>在缓存中找到zip文件。##>正在解压缩zip文件。。。##----评估=假---------------------------------------------------------------#df<-ReadBrenda(brenda.filepath)##>正在读取BRENDA文本文件。。。##>将文本转换为列表。这可能需要一段时间。。。##>正在将列表转换为tibble并删除重复条目。。。##>如果要再次使用此数据,请考虑使用data.table::fwrite()保存此表。## -----------------------------------------------------------------------------brenda_txt<-system.file(“extdata”,“brenda_download_test.txt”,package=“brendaDb”)df<-读brenda(brenda_txt)res<-QueryBrenda(df,EC=c(“1.1.1.1”,“6.3.5.8”),n.core=2)物件资源[[“1.1.1.1”]]## -----------------------------------------------------------------------------显示字段(df)res<-QueryBrenda(df,EC=“1.1.1.1”,字段=c(“蛋白质”,“底物_产品”))res[[“1.1.1.1”]][[“相互作用”]][[“底物.产品”]]## -----------------------------------------------------------------------------res<-QueryBrenda(df,EC=“1.1.1.1”,有机体=“智人”)资源$`1.1.1.1`## -----------------------------------------------------------------------------res<-QueryBrenda(df,EC=c(“1.1.1.1”,“6.3.5.8”),n.core=2)ExtractField(res,field=“parameters$ph.optimal”)## -----------------------------------------------------------------------------ID2酶(brenda=df,ids=c(“ADH4”,“CD38”,“丙酮酸脱氢酶”)##----评估=错误---------------------------------------------------------------#EC.numbers<-head(唯一(df$ID),100)#system.time(QueryBrenda(df,EC=EC.numbers,n.core=0))#default#消耗的用户系统数量# # 4.528 7.856 34.567#system.time(QueryBrenda(df,EC=EC.numbers,n.core=1))#消耗的用户系统数量# # 22.080 0.360 22.438#system.time(QueryBrenda(df,EC=EC.numbers,n.core=2))#消耗的用户系统数量# # 0.552 0.400 13.597#system.time(QueryBrenda(df,EC=EC.numbers,n.core=4))#消耗的用户系统数量# # 0.688 0.832 9.517#system.time(QueryBrenda(df,EC=EC.numbers,n.core=8))#消耗的用户系统数量# # 1.112 1.476 10.000## -----------------------------------------------------------------------------sessionInfo()