Molecular Docking Server

sorting/selecting tool
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Author:  joaks77 [ Tue Mar 17, 2015 9:22 pm ]
Post subject:  sorting/selecting tool

I was thinking of a tool which could be used as follows:

Lets say I run several dockings using different ligands to the same protein. I save all results in the same folder. The tool could have a "select best frequency" for each ligand in the folder to make comparison easier.

Other ideas would be to sort results of a single docking by selecting on the header on the "Energy" tab so one could order them ascending or descending by energy or frequency etc. This would the same as you have on a standard spreadsheet.

Author:  bikadi [ Wed Mar 18, 2015 6:34 pm ]
Post subject:  Re: sorting/selecting tool

Thanks for your input, great ideas! The next version of Dockingserver will be most probably dependent on the use of mobile devices in molecular docking - as soon as this will be more than 20% we will act and the functions you mentioned will be surely the part of the more app-looking version of DockingServer.

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