ADL: Add metal ions to Autodock4

Beale, John John.Beale at stlcop.edu
Wed Mar 9 01:24:26 PST 2016


Good morning,

I apologize if this is a trivial question, but I am just learning.

I am trying to add some metal ion parameters, notably zinc and potassium, to Autodock 4. I am following the instructions on the web. These tell me to add the line "parameter_file < modified_parameter_file>" to the top of all of the *.dpf and *.gpf files.

Through experimentation I have found that the following works to add the modified parameters to a single *.dpf file:

            sed -i '1i parameter_file <modified_parameters> ' 4bs2-9032049.dpf

This string adds the needed line to the top of the dpf file exactly as I want it to.

Now, can someone please tell me how to modify the above to add the line to the top of all of the *.dpf and *.gpf files? How can I write it so that it loops through all of these files and adds the line of text?

Thank you!


John M. Beale, Jr.
John M. Beale, Jr., Ph.D.
Professor of Medicinal Chemistry and Pharmacognosy
Saint Louis College of Pharmacy
4588 Parkview Place
Saint Louis, Missouri  63110-1088
Office: 314-446-8461
Cell: 314-315-0409
FAX: 314-446-8460
John.Beale at stlcop.edu<mailto:John.Beale at stlcop.edu>



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