ADL: DLG Results

Jack Shultz jackygrahamez at gmail.com
Mon Nov 19 11:22:37 PST 2007


Hello Dockers,

My AD4 integration onto BOINC's distributed platform has a slight caveat.
For some reason on upload to the server, my DLG gets truncated at the lines
where it beggins reading the maps.fld. I am really having trouble figuring
out a work around. For instance here is the tail of one result:

Calculating OA-OA interaction energy versus atomic separation (2048 data
points).
Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00

DPF> fld pdb1mwv.maps.fld                 # grid_data_file
In order to get the protein ligand complex, I need the rest of the file
http://autodock.scripps.edu/faqs-help/faq/is-there-a-way-to-save-a-protein-ligand-complex-as-a-pdb-file-in-autodock

Any way I can run a python or even a perl script to perform the same shell
commands? I seek to port such scripts across platforms so I can distribute
the work over the internet.

Regards,

Jack


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