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Conf

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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46 views1 page

Conf

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.

Uploaded by

navneet
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as TXT, PDF, TXT or read online on Scribd
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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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