The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Thu Apr 26, 2018 9:07 pm

All times are UTC




Post new topic Reply to topic  [ 2 posts ] 
Author Message
 Post subject: Dock file preparation
PostPosted: Mon Feb 02, 2015 8:47 am 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Mon Feb 02, 2015 8:34 am
Posts: 2
Hello everyone! I am working on a Project that involves Molecular Docking using ADT.
We prepare the
1. PDBQT file of the Protein
2. PDBQT file of the Ligand
3. Grid file
4. Dock file

While preparing the Dock file,
Docking -> Macromolecule -> Set Rigid Filename -> Open Protein.pdbqt
Why doesn't it open?
OTOH the Ligand.pdbqt opens which can be seen in the Visual screen.

Please post your answers. Thanks in advance.


Top
 Profile  
 
PostPosted: Thu Mar 19, 2015 4:50 pm 
Offline
Picomolar User
Picomolar User
User avatar

Joined: Sun Jun 21, 2009 11:37 pm
Posts: 163
In ADT Docking -> Macromolecule -> Set Rigid Filename allows the user to specify the filename of the file containing the rigid portion of the receptor pdbqt file for its inclusion in a docking parameter file.

If for some reason you want to interact with your rigid receptor in ADT, use Grid->Macromolecule->Open to load it into ADT. In this case, make sure to use Docking->Macromolecule->Set Rigid Filename... before outputting your dpf


Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 2 posts ] 

All times are UTC


Who is online

Users browsing this forum: No registered users and 6 guests


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
cron
POWERED_BY
Translated by MaĆ«l Soucaze © 2009 phpBB.fr