Splitting the ligand cluster file

Hello! I recently performed a ligand-protein docking job in SwissDock and downloaded the output file which contained the "clusters.dock4.pdb" file. I performed the ViewDock analysis on Chimera and now want to save a specific binding mode of a ligand from the cluster. I understand that the "Split" function is to be used in this regard, but I am not sure on how to implement this because of my limited experience with Chimera. Can I be provided with the exact steps for using this function? Thanks, Regards, Saptarshi

Hello Saptarshi! If you could already see the ligands one by one with ViewDock, they are already separate models (something like #0.1, 0.2, … 0.N) and there is no need to split. Just use menu: File… Save PDB and in the “Save models” list, choose the model number (e.g. #0.25) of the binding mode you want to save. Save PDB dialog: <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/savemodel.html#pdb> The specific model number is shown in the ViewDock dialog when you are viewing binding modes one by one; for example, in this image it is #2.1. <http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/viewdock/viewdock....> I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Apr 11, 2018, at 12:11 AM, SAPTARSHI MUKHOPADHYAY 14BBT0011 <saptarshi.mukhopadhyay2014@vit.ac.in> wrote:
Hello! I recently performed a ligand-protein docking job in SwissDock and downloaded the output file which contained the "clusters.dock4.pdb" file. I performed the ViewDock analysis on Chimera and now want to save a specific binding mode of a ligand from the cluster. I understand that the "Split" function is to be used in this regard, but I am not sure on how to implement this because of my limited experience with Chimera. Can I be provided with the exact steps for using this function?
Thanks,
Regards, Saptarshi
participants (2)
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Elaine Meng
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SAPTARSHI MUKHOPADHYAY 14BBT0011