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Conf Vs

The document specifies parameters for a molecular docking simulation, including the receptor file 'receptor.pdbqt' and the center coordinates (10.0, 12.5, -8.0). It also defines the search space dimensions (20x20x20), along with settings for exhaustiveness, number of modes, and energy range. These parameters are essential for configuring the docking process.

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prosenjitdutta771
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21 views1 page

Conf Vs

The document specifies parameters for a molecular docking simulation, including the receptor file 'receptor.pdbqt' and the center coordinates (10.0, 12.5, -8.0). It also defines the search space dimensions (20x20x20), along with settings for exhaustiveness, number of modes, and energy range. These parameters are essential for configuring the docking process.

Uploaded by

prosenjitdutta771
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 = receptor.

pdbqt

center_x = 10.0
center_y = 12.5
center_z = -8.0

size_x = 20
size_y = 20
size_z = 20

exhaustiveness = 8
num_modes = 10
energy_range = 3

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