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Running AutoGrid - English

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Questions posted on Forums
AutoDock4 Tutorials - English

Questions posted on ST Forums:

Running Autogrid
For window users,how to select Macro name, Host name and program pathname. I am having error
07-08M 20-30S monikakamboj

Answer last updated on: Aug. 23, 2024, 12:33 p.m.
What is involved in the discovery of a ligand "inside" a protein?
When we add a ligand, it appears "inside" the protein. Why is this the case? Is it possible to somehow adjust the field so that there is a space between the ligand and the protein?
03-04M 10-20S Ivajull

Answer last updated on: Aug. 9, 2024, 4:03 p.m.

8

Outline:

Open the saved .psf session file in ADT. Save the receptor file as pdbqt file. About the grid box. Set the grid box parameters. Create a grid for the receptor molecule. Save the grid box properties as .gpf file. Run the AutoGrid program. Open the output .glg file using text editor. Check the output .glg file for the successful running of the AutoGrid program.

Width:	984	Height:	658
Duration:	00:11:30	Size:	5.9 MB

Show video info

Pre-requisite

Receptor Preparation for Docking

Assignment

Code files

Codefile-Running-AutoGrid/
Codefile-Running-AutoGrid/2vta-receptor-prep.psf

Script

Slides

Slides-Running-autogrid/
Slides-Running-autogrid/Running-autogrid.pdf
Slides-Running-autogrid/Running-autogrid.tex
Slides-Running-autogrid/st-logo-new.png

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