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DivCon Discovery Suite

  • Description

    a tool that implements fast, high-performance, quantum mechanical and molecular mechanical algorithms in an easy-to-use approach to accelerate drug discovery and development.

  • Usage

    To list all executables provided by DivCon Discovery Suite, run: $ sbgrid-list divcon Copy to clipboard

  • Usage Notes

    The QuantumBio discovery suite is available upon request. An academic/non-profit license is available for non-profit research performed within an academic setting where results will be placed in the public domain. Email info@quantumbioinc.com for license information, more info can be found at http://www.quantumbioinc.com/products/software_licensing.

    A license file is required to use the software. To activate a license from QuantumBio, create the directory

    /programs/local/divcon

    and copy the file "license" to this directory. Once the license file is in place, DivCon should work normally.

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install divcon Copy to clipboard Available operating systems: Linux 64

  • Primary Citation*

    O. Borbulevych, J. Plumley, R. Martin, K. J. Merz, and L. Westerhoff. 2014. Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package. Acta Crystallogr D Biol Crystallogr. 70: 1233-1247.


    • *Full citation information available through

  • Webinars

    MovableType Software for Fast Free Energy-based Virtual Screening

    Topic: MovableType Software for Fast Free Energy-based Virtual Screening
    Presenter: Lance Westerhoff, Ph.D., QuantumBio, Inc.

    Host: Jason Key
    Recorded on October 6, 2020

    Phenix/DivCon

    Topic: XModeScore: using crystallography to determine protonation states, fragment binding modes, and flip-states.
    Speaker: Lance Westerhoff, President and General Manager at QuantumBio Inc.

    Date: recorded: Oct 2, 2018
    Host: Jason Key

    Phenix/DivCon

    Topic: Phenix/DivCon: accurate macromolecular crystallographic refinement using linear scaling, semiempirical quantum-mechanics.
    Presenter: Lance Westerhoff, President and General Manager

    Host: Jason Key
    Recorded on September 22, 2015

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