hi:
with script
data = open('134-176_rectified_edited.pdb', 'r')
outp = open('134-176_renumbered.pdb', 'w')
for L in data:
if L[3] == 'M':
L = L[:24] + "%4d" % (int(L[24-28])+133) + L[28:]
outp.write(L)
i wanted to modify lines of the type:
ATOM 1 HH31 ACE 1 1.573 1.961 0.769 1.00 0.00 H
to add 133 to column 25, getting 134 there, and so on for next lines 2
-> 135, 3 -> 136, etc.
i must have heavily messed things because the file was not even read:
$ python renumber.py 134-176_rectified.pdb
Traceback (most recent call last):
File "renumber.py", line 6, in <module>
L = L[:24] + "%4d" % (int(L[24-28])+133) + L[28:]
ValueError: invalid literal for int() with base 10: ''
thanks for having an expert look
chiendarret
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