[Chimera-users] Error in SASA calculation

Aditya Padhi adi.uoh at gmail.com
Fri Jan 28 04:04:26 PST 2011

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.

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")
for m in openModels.list(modelTypes=[Molecule]):
    for r in m.residues:
            sas = r.areaSAS
        except AttributeError:
        print>>out, r, sas

Kindly help me.
Thank you.
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