Monday 8 August 2011

AUDocker LE


Hi
Here is a program written by us to let the user perform virtual screening of a database of compounds (.pdbqt/.pdb/.mol2) on to a dataset of proteins (.pdbqt). It helps the user to analyze the result using the concept Ligand Efficiency followed by normalization of the results.


I hope you find it useful..

Link: https://sourceforge.net/projects/audocker/files/

###Go through the manual first###

#### dont forget to post here if you find any bugs in my program####


1 comment:

  1. In my case, though the Vina was alrerady installed in C:\Program Files, still it gives error !
    First, when I click on audockerle v1.msi, then just before getting opened it gives error, then when I start the docking then as soon as it comes to 100% completion, it gives error " audockerle stopped working and needs to close".
    I tried using mine as well as tutorial protein ligands, but none worked ??? Same happens with AUDocker 1.1.2.rar (216.4 kB), which gives an instant error " file not found ", and later says " complete" but never return any ligand poses ??? Plz help ??

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