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Python 从blastx输出文件中提取特定条目,写入新文件_Python_List_Dictionary_Biopython_Blast - Fatal编程技术网

Python 从blastx输出文件中提取特定条目,写入新文件

Python 从blastx输出文件中提取特定条目,写入新文件,python,list,dictionary,biopython,blast,Python,List,Dictionary,Biopython,Blast,我创建了一个脚本,该脚本成功地在XML格式的Blastx输出文件中搜索关键字(由用户指定)。现在,我需要将包含对齐标题中关键字的记录(查询、命中、得分、评估等)写入新文件 我已经为每个查询标题、点击标题、e值和对齐长度创建了单独的列表,但似乎无法将它们写入新文件 问题#1:如果Python出错,并且其中一个列表缺少一个值,该怎么办。。。?然后,所有其他列表都会给出错误的查询信息(“行滑动”,如果您愿意…) 问题#2:即使Python没有出错,并且所有列表都是相同长度的,我如何将它们写入一个文件

我创建了一个脚本,该脚本成功地在XML格式的Blastx输出文件中搜索关键字(由用户指定)。现在,我需要将包含对齐标题中关键字的记录(查询、命中、得分、评估等)写入新文件

我已经为每个查询标题、点击标题、e值和对齐长度创建了单独的列表,但似乎无法将它们写入新文件

  • 问题#1:如果Python出错,并且其中一个列表缺少一个值,该怎么办。。。?然后,所有其他列表都会给出错误的查询信息(“行滑动”,如果您愿意…)

  • 问题#2:即使Python没有出错,并且所有列表都是相同长度的,我如何将它们写入一个文件,以便每个列表中的第一项彼此关联(因此,每个列表中的第#10项也关联?),我应该创建一个字典吗

  • 问题#3:字典对一个键只有一个值,如果我的查询有多个不同的命中率呢?不确定它是否会被覆盖或跳过,或者它是否只会出错。有什么建议吗?我当前的脚本:

    from Bio.Blast import NCBIWWW
    from Bio.Blast import NCBIXML
    import re
    
    #obtain full path to blast output file (*.xml)
    outfile = input("Full path to Blast output file (XML format only): ")
    
    #obtain string to search for
    search_string = input("String to search for: ")
    
    #open the output file
    result_handle = open(outfile)
    
    #parse the blast record
    blast_records = NCBIXML.parse(result_handle)
    
    #initialize lists
    query_list=[]
    hit_list=[]
    expect_list=[]
    length_list=[]
    
    #create 'for loop' that loops through each HIGH SCORING PAIR in each ALIGNMENT from each RECORD
    for record in blast_records:
            for alignment in record.alignments:     #for description in record.descriptions???
                    for hsp in alignment.hsps:      #for title in description.title???
    
                            #search for designated string
                            search = re.search(search_string, alignment.title)
    
                            #if search comes up with nothing, end
                            if search is None:
                                    print ("Search string not found.")
                                    break
    
                            #if search comes up with something, add it to a list of entries that match search string
                            else:
    
                                    #option to include an 'exception' (if it finds keyword then DOES NOT add that entry to list)
                                    if search is "trichomonas" or "entamoeba" or "arabidopsis":
                                            print ("found exception.")
                                            break
                                    else:
    
                                            query_list.append(record.query)
                                            hit_list.append(alignment.title)
                                            expect_list.append(expect_val)
                                            length_list.append(length)
    
                                            #explicitly convert 'variables' ['int' object or 'float'] to strings
                                            length = str(alignment.length)
                                            expect_val = str(hsp.expect)
    
                                            #print ("\nquery name: " + record.query)
                                            #print ("alignment title: " + alignment.title)
                                            #print ("alignment length: " + length)
                                            #print ("expect value: " + expect_val)
                                            #print ("\n***Alignment***\n")
                                            #print (hsp.query)
                                            #print (hsp.match)
                                            #print (hsp.sbjct + "\n\n")
    
    
                                            if query_len is not hit_len is not expect_len is not length_len:
                                                    print ("list lengths don't match!")
                                                    break
                                            else:
    
                                                    qrylen = len(query_list)
                                                    query_len = str(qrylen)
                                                    hitlen = len(hit_list)
                                                    hit_len = str(hitlen)
                                                    expectlen = len(expect_list)
                                                    expect_len = str(expectlen)
                                                    lengthlen = len(length_list)
                                                    length_len = str(lengthlen)
                                                    outpath = str(outfile)
    
                                                    #create new file
                                                    outfile = open("__Blast_Parse_Search.txt", "w")
                                                    outfile.write("File contains entries from [" + outpath + "] that contain [" + search_string + "]")
                                                    outfile.close
    
                                                    #write list to file
                                                    i = 0
                                                    list_len = int(query_len)
                                                    for i in range(0, list_len):
    
                                                            #append new file
                                                            outfile = open("__Blast_Parse_Search.txt", "a")
                                                            outfile.writelines(query_list + hit_list + expect_list + length_list)
                                                            i = i + 1
    
                                                    #write to disk, close file
                                                    outfile.flush()
                                                    outfile.close
    
    print ("query list length " + query_len)
    print ("hit list length " + hit_len)
    print ("expect list length " + expect_len)
    print ("length list length " + length_len + "\n\n")
    print ("first record: " + query_list[0] + " " + hit_list[0] + " " + expect_list[0] + " " + length_list[0])
    print ("last record: " + query_list[-1] + " " + hit_list[-1] + " " + expect_list[-1] + " " + length_list[-1])
    print ("\nFinished.\n")
    

如果我正确理解了您的问题,您可以使用线滑动的默认值,例如:

try:
  x(list)
except exception:
  append_default_value(list)

或者对字典键使用元组,如
(0,1,1)
,并对默认值使用get方法

如果需要在输出文件中维护数据结构,可以尝试使用搁置:

或者,您可以在每条记录后附加某种类型的引用,并为每条记录提供一个唯一的id,例如“
\32{somekey:value}\21\22\44#

同样,您可以使用一个元组拥有多个键

我不知道这是否有帮助,您可能会澄清代码中哪些部分有问题。像
x()
给我输出
y
,但我希望
z