On 07/06/2011 06:58 AM, MUSTAFA BUGHIO wrote:
I am trying to do energy minimization step by running optimize.py script
file but it does not execute every time i tried to run and got the
following error, i will be thankful if you help me get this problem
resolved.
IOError: pdbnam_____E> Filename for PDB code not found: hGLR
Directories: ../atom_files
Extensions : :.atm:.pdb:.ent:.crd
(Also tried prepending 'pdb', looking for .Z, .gz, .bz2,
.7z, .xz,
and trying PDB-style subdirectories - e.g. ab for
pdb1abc.ent)
Just like it says, you asked it to open a PDB file called "hGLR" and told it to look for it in the ../atom_files directory, and it can't find it in there. Set env.io.atom_files_directory to the directory containing your PDB file (or remove that line entirely if it's in the same directory as the script).
Ben Webb, Modeller Caretaker
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