Thanks. I tried to use 'for' instead of 'while' as both of you
suggested. It's running well as my previous version but breaks
completely instead of just skipping the empty file. I suspect the
reason is that this part is inside another 'for' so it stops
everything. I just want to it to break only one 'for', that is go back
to 5th line in the example code (directory C has one empty file):
receptors = ['A', 'B', 'C']
for x in receptors:
print x
for i in range(3):
for r in (7, 9, 11, 13, 15, 17):
f =
open('c:/Linux/Dock_method_validation/%s/validation/ligand_ran_line_%s_%sA_secondary_scored.mol2'
%(x,i,r), 'r')
line = f.readline()[:-1]
out_file =
open('c:/Linux/Dock_method_validation/%s/validation/pockets.out' %(x),'a')
out_file.write('%s ' %i)
out_file.write('%s ' %r)
# skip to scores
j=0
for line in f:
line = line.rstrip()
if "PRIMARY" not in line:
j += 1
if j == 20:
break
else:
for line in f:
if "TRIPOS" not in line:
line = line.rstrip()
out_file.write(line)
else:
break
f.close()
out_file.close()
Any suggestions as for how to control the "extent of break"? should I do
something else instead? Thank you!
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