#Pickpocket gif software#
#Pickpocket gif code#

Any set of ligands can be used in this methodology as long as there is enough of them ( around 30 pockets-ligand complexes ) This methodology was applied on the case of fatty acid molecules as ligand.

#Pickpocket gif code#

In order to extract those features for any desired family or group of ligand we must proceed as follow : 1) Selection of ligands (3 letters code ) and corresponding PDB files.

#Pickpocket gif software#

Similar ligands have common structural and chemical caracteristics and therefor binding pocket for those ligand must have similar corresponding features.Features used in the software are gathered from the fpocket and stride software. The objective of PickPocket is to enable researcher to learn more from pocket ligand interaction using protein structure from the PDB. If you use PickPocket for your research, please cite the following references: PickPocket is developed by Benjamin Viart ( IMGT ) and Claudio Lorenzi ( Machine learning and gene regulation ) from IGH, CNRS. Bug reports, issues and patches are welcome. This software is for research use only and comes with no warranty. You are welcome to redistribute it under (see LICENSE). Continued abuse of our services will cause your IP address to be blocked indefinitely.PickPocket is open-source, released under GNU GPLv3 license. Please fill out the CAPTCHA below and then click the button to indicate that you agree to these terms. If you wish to be unblocked, you must agree that you will take immediate steps to rectify this issue. If you do not understand what is causing this behavior, please contact us here. If you promise to stop (by clicking the Agree button below), we'll unblock your connection for now, but we will immediately re-block it if we detect additional bad behavior. Overusing our search engine with a very large number of searches in a very short amount of time.Using a badly configured (or badly written) browser add-on for blocking content.Running a 'scraper' or 'downloader' program that either does not identify itself or uses fake headers to elude detection.

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