The a

AutoDock 4.2 Release 4.2.5.1

(C) 1989-2012 The Scripps Research Institute

ware, and you are welcome

to redistribute it under certain conditions;

for details type 'autodock4 -C'

main.cc $Revision: 1.194 $

Compiled on Dec 14 2012 at 12:07:30

This file was created at: 10:50 05" a.m., 04/19/2024

using: "LAPTOP-D0B73VAS"

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SETTING UP DEFAULT PARAMETER LIBRARY

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Random number generator was seeded with values 4268, 1713498605.

Docking parameter file (DPF) used for this docking: protein_turunan1.dpf

DPF> autodock_parameter_version 4.2 # used by autodock to validate parameter set

Autodock parameter version 4.2.

DPF> outlev 1 # diagnostic output level

Output Level = 1 ADT-COMPATIBLE OUTPUT DURING DOCKING.

DPF> intelec # calculate internal electrostatics

Electrostatic energies will be calculated for all non-bonds between moving atoms.

DPF> seed pid time # seeds for random generator

DPF> fld ..\protein.maps.fld # grid_data_file

Opening Grid Map Dimensions file: ..\protein.maps.fld

Grid Point Spacing = 0.375 Angstroms

Even Number of User-specified Grid Points = 14 x-points

40 y-points

40 z-points

Coordinates of Central Grid Point of Maps = (6.462, 16.096, 56.715)

Macromolecule file used to create Grid Maps = protein.pdbqt

Grid Parameter file used to create Grid Maps = protein.gpf

Minimum coordinates in grid = (3.837, 8.596, 49.215)

Maximum coordinates in grid = (9.087, 23.596, 64.215)

DPF> map ..\protein.A.map # atom-specific affinity map

C:\Program Files\PyRx\0.9.8\autodock4.exe: WARNING: Filename mismatch: "protein.maps.fld" ::

"..\protein.maps.fld"

DPF> map ..\protein.C.map # atom-specific affinity map

C:\Program Files\PyRx\0.9.8\autodock4.exe: WARNING: Filename mismatch: "protein.maps.fld" ::

"..\protein.maps.fld"

DPF> map ..\protein.NA.map # atom-specific affinity map

C:\Program Files\PyRx\0.9.8\autodock4.exe: WARNING: Filename mismatch: "protein.maps.fld" ::

"..\protein.maps.fld"
DPF> map ..\protein.OA.map # atom-specific affinity map

C:\Program Files\PyRx\0.9.8\autodock4.exe: WA