@dwblas yes I got some answers. but they are unbelievable. So I think there is a problem with my codes. i.e repetition of values when counting.
So I need to know how to modify these codes. Please if you know the method can you help me ?
iromi
Last Activity: Apr 27 '17, 03:44 AM
Joined: Mar 6 '17
Location:
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How to add multiple lists to a script to count number of residues
#!/usr/bin/python
import os
d={}
path=os.getcwd( )
print path
list_of_filenam es=os.listdir(o s.path.join(pat h, 'newfiles'))
print list_of_filenam es
residue=[]
for f in list_of_filenam es:
f1=open(os.path .join(path, 'newfiles', f)).readlines()
d[f]=0
for line in f1:
if line.startswith ('ATOM'):
... -
@dwblas Thank you. I will try.Leave a comment:
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How to count total number of water ('HOH') molecules in each file ?
#!/usr/bin/python
import os
path=os.getcwd( )
print path
list_of_filenam es=os.listdir(p ath+'//newfiles')
print list_of_filenam es
residue=[]
for f in list_of_filenam es:
f1=open(path+'//newfiles//'+f).readlines( )
for line in f1:
if line.startswith ('HETATM'):
res_number=line[22:26]
if res_number... -
thank you very much for your kind explanation. I will proceed with this.Leave a comment:
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how to write a python script to count number of residues in a 'pdb' file
#!/usr/bin/python
import sys
import os
f1=open('1tfz.p db','r')
residue=[]
for line in f1:
if line.startswith ('ATOM') or line.startswith ('HETATM'):
res_number=line[22-26]
if res_number not in residue and line[17-20]!='HOH' and line[17-20]!='WAT':
residue.append( res_number)...
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