Can anyone help me out with AutoDock tools, please? It's been really difficult for me to start using it, especially the part of creating the initial files. Thank you so much in advance.
Its good idea if you follow a brief tutorial of Autodock with ADT.
http://autodock.scripps.edu/faqs-help/tutorial/using-autodock-4-with-autodocktools/2012_ADTtut.pdf
Autodock tool (ADT) is used to convert Ligand or protein files to autodock preferred pdbqt files. You can generate grid parameter files and docking parametr file from ADT. For analysis of results also you would require ADT. Once you follow and understand the usage of ADT and commandline usage using Cygwin, Autodock can be very useful tool.
You welcome, and in case any query post here I will try to solve, suggest it.
Hi Sajin A K,
I am using autodock in linux.
can you help me on how start using it autodock tools.
Thank You
Can anyone help me on this please?
When I open the ligand and try to do the torsion tree part, I get an alert box saying that I must select a ligand first. I can't understand why this happens because I already have the molecule I want selected in the left options of the dashboard. What am I missing?
As autodock can work on multiple molecules at a time, it always asks to select a specific molecule before you perform anything , even if it is a single molecule. So go to select tab, select the molecule, then proceed.
- Badges
- Science topic
- Similar topics
- Chemistry
- Nanotechnology
- Nanostructures
- Thin Films