manipulating files within 'for'

[Ben Keshet]

Hi Pythoneers,

I have a question about a code I wrote with the help of someone. The
code below copy a few lines from different files into one file. It works
fine as it is given here and generates the new file 'pockets.out'
correctly, but says:"....py returned exit code 0". However, if I add
more values to 'receptor' (say, receptor = ['1AZM' '1ADS']) it gives an
error: "Exception raised while running script".

Can anyone please advice me? Why is it giving an error on multiple x but
runs well with one (I made sure that all files and folders exist, etc.).
What does exit code 0 mean? what does "exception raised" mean?

Thanks a lot,
BK

CODE:

|receptors = ['1AZM']
for x in receptors:
print x
# open out_file for appending for each 'x' in receptors, close at
same level
out_file =
open('c:/Linux/Dock_method_validation/%s/validation/pockets.out' %(x),'a')
for i in range(10):
for r in (7, 9, 11, 13, 15, 17):
f = open('%s/validation/ligand_ran_line_%s_%s.mol2'
%(x,i,r), 'r')
out_file.write('%s ' %i)
out_file.write('%s ' %r)
# assume 'PRIMARY' should be found first
# set flag for string 'PRIMARY'
primary = False
# iterate on file object, empty files will be skipped
for line in f:
if 'PRIMARY' in line:
primary = True
out_file.write(line.strip()) # write line to out_file
out_file.write(' ') # add a space
# write all line after 'PRIMARY' was found until
'TRIPOS' is found
elif 'TRIPOS' not in line and primary:
out_file.write(line.strip())
out_file.write(' ') # add a space
elif 'TRIPOS' in line and primary:
break # stop when
'TRIPOS' is found
print
out_file.write('\n') # move to a new line
f.close() # close file. for loop moves to next 'r'
value, and then to next 'i'
out_file.close() # close out_file|

[Arnaud Delobelle]

On Sep 12, 6:11*pm, Ben Keshet <[e-mail]:

Hi Pythoneers,

I have a question about a code I wrote with the help of someone. The
code below copy a few lines from different files into one file. It works
fine as it is given here and generates the new file 'pockets.out'
correctly, but says:"....py returned exit code 0". However, if I add
more values to 'receptor' (say, receptor = ['1AZM' '1ADS']) it gives an
error: "Exception raised while running script".

You should post the full error if you want some help which is more
than speculation

>
Can anyone please advice me? Why is it giving an error on multiple x but
runs well with one (I made sure that all files and folders exist, etc.).
What does exit code 0 mean? what does "exception raised" mean?

I guess you are on Windows, but how do you run your script? Do you do
it from the command line or do you use some IDE?

--
Arnaud