Monday, 8 August 2011

AUDocker LE

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..


###Go through the manual first###

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

Saturday, 6 August 2011

.pdbqt file converter

Here is a program to convert .mol2 and .pdb files to .pdbqt format.

The file PDBQT converter can help you convert a batch of .pdb or .mol2 or a mix of these files to .pdbqt files.

Friday, 29 April 2011

AUDocker 1.0 - Easy tool for virtual screening with AutoDock Vina

AUDocker is a simple stand alone software tool for docking with Vina, developed with a view to simplify the procedures and to make the interface more user friendly.

Download the software from here