批量计算多肽段的理化性质----R

批量计算多肽段的理化性质----R

主程序

library("Peptides")
#数据读取
ww<-"data_1.csv" #文件位置s
data<-read.csv(ww,1)
cc<-dim(data)
#获取标签
rowname<-(data$Sequence)
#rowname<-(data$Peptide.1)
#定义列坐标 
colname<-c("mw","hydrophobicity","Boman index","Net charge","GRAVY") 
#colname<-c("mw","hydrophobicity","Boman index","GRAVY") 
#定义计算种类数目
numcol<-5
jj<-matrix(nrow=cc[1],ncol=numcol,dimnames=list(rowname,colname)) 
for (i in 1:cc[1]){
  #循环计算 data[i,1]循环要计算的参数
  jj[i,1]=mw(seq=data[i,1])
  jj[i,2]=hydrophobicity(seq =data[i,1] , scale = "Eisenberg")
  jj[i,3]=boman(seq =data[i,1])
  jj[i,4]=charge(seq =data[i,1], pH = 7, pKscale = "EMBOSS")
  jj[i,5]=hydrophobicity(seq =data[i,1] , scale = "Eisenberg")
}
#数据写入  请重新定义地址和文件名
write.csv(jj,"protein-peptides_5.csv") 

输入文件数据

输出结果示例