Ask A Doctor Appointment
Sankara Nethralaya
Sankara Nethralaya
Home About Us Patient Care Education Research LASIK Donate Now Career Contact Us
Back to Research
Centre For Bioinformatics
 

POAP tool is a bash shell script based pipeline which can be used to optimize multiples ligands in a parallelized way using Open Babel and also to perform parallelized virtual screening using different flavors of Autodock Suite. POAP implements simple yet powerful GNU Parallel tool for efficient CPU usage in a multicore architecture. It was developed as in-house pipeline for performing ocular drug discovery research at Centre for Bioinformatics, Vision Research Foundation, Sankara Nethralaya, Chennai, India. The pipeline has undergone lots of fine tuning for optimal performance in terms of CPU usage, dynamic file handling and presentation of results. POAP is distributed freely under the terms of GNU GPL license. It can be modified and redistributed freely. We wish the pipeline will be useful for many of the scientists aspiring to use Virtual screening methods implementing Open Source tools.

POAP features

1. Massive Parallelization of Ligand Preparation and Virtual screening using Open Babel and Autodock suite

2. Dynamic File handling

3. Seamless workflows & Guided text interface

4. Well organized results

5. Multi receptor Docking

6. Visualization ready Docked complexes

7. Offers the flexibility to modify the code

To download the Zip file containing the POAP pipeline, tutorial datasets and Operating manual click here

Usage:
unzip POAP.zip
cd POAP/
cd scripts/ #You will find two bash shell scripts#
POAP_lig.bash #is for ligand preparation module#
POAP_vs.bash #is for virtual screening module#

For detailed information on the POAP usage kindly refer the MANUAL
POAP can also be downloaded from github: https://github.com/inpacdb/POAP
POAP is available online since 21-7-2017

Contact Info:
Dr. V. Umashankar
Email:  vumashankar@gmail.com, drvus@snmail.org

Department home