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  • Conf

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    navneet
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    This document provides parameters for docking a ligand molecule (isz.pdbqt) into a receptor molecule (mol.pdbqt) and saving the results to out1.pdbqt, specifying the center point and size of the docking grid box for the simulation.

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    Conf.txt

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    This document provides parameters for docking a ligand molecule (isz.pdbqt) into a receptor molecule (mol.pdbqt) and saving the results to out1.pdbqt, specifying the center point and size of the docking grid box for the simulation.

    Copyright:

    © All Rights Reserved
    Download as TXT, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    Download as txt, pdf, or txt
    24 views1 page

    Conf

    Uploaded by

    navneet
    This document provides parameters for docking a ligand molecule (isz.pdbqt) into a receptor molecule (mol.pdbqt) and saving the results to out1.pdbqt, specifying the center point and size of the docking grid box for the simulation.

    Copyright:

    © All Rights Reserved
    Download as TXT, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    Download as txt, pdf, or txt
    of 1

    receptor = mol.

    pdbqt
    ligand = isz.pdbqt
    out = out1.pdbqt

    center_x = -8.6322
    center_y = -3.0278
    center_z = 3.0172

    size_x = 6
    size_y = 6
    size_z = 6

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