图1的pdbname包含在图二的description中,并输出表二对应的值另存为一个表格
#coding=gbk
# import pandas as pd
#
# df = pd.read_excel('F:/1对接/chapter4/8w_双突变/total_B_8w.xlsx')
# print(df[df['description']=='01_pos_remove_00B_01_00B_positioned_00884']['interface_delta_B'])
# print(df[df['description']=='01_pos_remove_00B_01_00B_positioned_01172']['interface_delta_B'])
# print(df[df['description']=='01_pos_remove_00B_01_00B_positioned_02289']['interface_delta_B'])
import numpy as nd
import pandas as pd
dfxm=pd.read_excel(r"F:\1对接\chapter4\8w_双突变\cd_hit_name.xlsx",sheet_name=0)
df=pd.read_excel(r"F:\1对接\chapter4\8w_双突变\total_B_8w.xlsx")
df1=dfxm["pdbname"].astype(str)
df2=df["description"].astype(str)
list=[]
for i in df1:
for j in df2:
if i in j:
list.append(j)
list_str= (" ".join(list))
list
data=pd.DataFrame(list,columns=['description'],index=None)
dfbiao=pd.merge(df,data)
#print(dfbiao)
dfbiao.to_excel(excel_writer=r"F:\1对接\chapter4\8w_双突变\jieguo2.xlsx")