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Software Developed by the Donald Lab

POOL

Download | User Manual | License | Contact

Welcome to the website for the POOL software. Here, you can download the newest version of the software, read the latest user manual and license agreement, or e-mail inquiries.

POOL is a suite of programs for protein loop backbone structure determination using orientational restraints from NMR data, specifically, using residual dipolar couplings (RDCs). POOL is developed in the lab of Prof. Bruce Donald at Duke University.

POOL is designed to compute high-quality protein loop backbone conformations from a minimal amount of RDC data in one alignment medium. The POOL algorithm uses constraint posting in a rigorous algorithmic framework to restrict the solution space by exploiting the algebra of RDCs and protein kinematics, to compute a complete set of loop conformations that satisfy the RDC data. For further details of POOL, please refer to our primary publications:

Protein Loop Closure using Orientational Restraints from NMR Data
Chittaranjan Tripathy, Jianyang Zeng, Pei Zhou, and Bruce Randall Donald
Proteins: Structure, Function, and Bioinformatics, 80(2):433-453, 2012. (Cover Article)

Protein Loop Closure using Orientational Restraints from NMR Data
Chittaranjan Tripathy, Jianyang Zeng, Pei Zhou, and Bruce Randall Donald
In Proceedings of the 15th Annual International Conference on Research in Computational Molecular Biology (RECOMB), LNBI/LNCS 6577, pp. 483-498, 2011. (Conference Version)

POOL is free software and can be redistributed and/or modified under the terms of the GNU Lesser General Public License as published by the Free Software Foundation, either version 3 of the License, or (optionally) any later version. POOL is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details. Full licensing details, including citation requirements for the software, including citation requirements for the various different modules of the software, are found here.