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Docking molecules

PostPosted: Wed Jun 19, 2013 10:24 pm
by saharinku
May I ask if there is a way to dock 2 ligand molecules simalteneously. I came across this forum question:docking two ligands simultaneously.
It is helpful. May I ask after I dock the first one how do i put together the output ligand file with the protein file so that I can use this complex file to dock the second ligand.

Should I first change the ligand(1st one) output file to .pdb and then concatenate it to the .pdb protein file to create the complex file or how may I proceed.

Will greatly appreciate any help or suggestions.