Files
fpocket/data/extractModifiedResidueCodes.py
2017-03-22 23:31:13 +01:00

20 lines
429 B
Python

import os
fh=open("components.cif","r")
data_count=0
curHetCode=""
for line in fh.readlines():
line=line.strip()
if (line[0:4]=="data"):
het_code=line[5:]
if (line[0:15]=="_chem_comp.type"):
lastWord=line.split(" ")[-1]
lastWord=lastWord.upper().strip("\"")
if lastWord=="LINKING":
data_count+=1
print "\"%s\","%(het_code),
print ""
print data_count
fh.close