[Dock-fans] How do I do MULTIPLE DOCKING using DOCK6 ?

Sudipto Mukherjee sudmukh at yahoo.com
Sat Jun 27 08:46:36 PDT 2015

Hi Garisekurthi,
DOCK supports multi-molo2 files. These are just regular mol2 to files concatenated together. If you all the small molecules you wish to dock in the same folder, use a command such as:
cat *.mol2 > all_ligands.mol2
Specify all_ligands.mol2 as for the ligand_atom_file parameter in your dock input file.  Regards
Sudipto MukherjeeDept. of Chemistry, Temple University1901 N 13th St, Philadelphia, PA 19122 

     On Saturday, June 27, 2015 1:59 AM, Garisekurthi Satheesh <gschembio at uohyd.ac.in> wrote:


I am new to DOCK6, I want to do docking of multiple ligands and I don’t understand how I can include multiple ligands in rigid.in file. If I use path of ligands folder, it was not worked.

Please give me your answer regarding multiple ligands processing and docking.



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