Hi Aditya, I think the issue here is that you don't do anything to specify what folder you are writing "sas111.txt" in. For instance, on the Mac if you start Chimera by double-clicking then the "current folder" is /, which you almost certainly don't have write permission for. So instead of opening just "sas111.txt" you need to specify the full path to the file, e.g.:
out = open("/Users/aditya/sas111.txt", "a")
Along the same lines, this code will always write sas111.txt in your home folder:
from os import expanduser
out = open(expanduser("~/sas111.txt"), "a")
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
On Jan 28, 2011, at 4:04 AM, Aditya Padhi wrote:
Hi Elaine,
Hope you are fine. If you remember I was calculating per residue SASA using Chimera for my MD simulated protein. At that time it was working fine. But I did some more simulation run and now I want to calculate SASA for the entire trajectory but unfortunately Its showing the following error.
Error
Problem in per-frame script:
IOError: [Errno 13] Permission denied: 'sas111.txt'
File "<string>", line 3, in <module>
See reply log for Python traceback.
For your reference, I am giving the script also. It was working fine previously but with the same procedure which I followed this script is not working and showing the above mentioned error.
Script
from chimera import openModels, Molecule
out = open("sas111.txt", "a")
x='---------------------------------------------------------------------------------'
for m in openModels.list(modelTypes=[Molecule]):
for r in m.residues:
try:
sas = r.areaSAS
except AttributeError:
continue
print>>out, r, sas
print>>out,x
out.close()
Kindly help me.
Thank you.
Aditya.
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