Hi Elaine,<br> 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.<br>
<br><b>Error</b><br>Problem in per-frame script:<br>IOError: [Errno 13] Permission denied: 'sas111.txt'<br><br> File "<string>", line 3, in <module><br><br>See reply log for Python traceback.<br>
<br>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.<br><b><br>Script </b><br>from chimera import openModels, Molecule<br>
<br>out = open("sas111.txt", "a")<br>x='---------------------------------------------------------------------------------'<br>for m in openModels.list(modelTypes=[Molecule]):<br> for r in m.residues:<br>
try:<br> sas = r.areaSAS<br> except AttributeError:<br> continue<br> print>>out, r, sas<br>print>>out,x<br>out.close()<br><br><br>Kindly help me.<br>Thank you.<br>Aditya.<br>