New Jersey Institute of Technology
header images

About IST
Services
Help and Support
Quick Start
Cyberinfrastructure
News
System Maintenance

Software Details
Software Details

AutoDockTools 2.0
Platform: IRIX
Category: Discipline Specific > Chemical Engineering Chemistry



Overview:
Chemical engineering software

Details:

AutoDockTools, or ADT, is the ultimate GUI to set up, launch and analyze AutoDockruns. With ADT, you can:

  • View molecules in 3D, rotate & scale in real time.
  • Add all hydrogens or just non-polar hydrogens.
  • Assign partial atomic charges to the ligand and the macromolecule (Gasteiger or Kollman United Atom charges).
  • Merge non-polar hydrogens and their charges with their parent carbon atom.
  • Set up rotatable bonds in the ligand using a graphical version of AutoTors.
  • Set up the AutoGrid Parameter File (GPF) using a visual representation of the grid box, and slider-based widgets.
  • Set up the AutoDock Parameter File (DPF) using forms.
  • Launch AutoGrid and AutoDock.
  • Read in the results of an AutoDock job and graphically display them.
  • View isocontoured AutoGrid affinity maps.

Executable Path: /usr/local/bin/adt


Available to:
  • Students
  • Faculty
  • Staff
Installed in the following compulting labs:
Installed in the following classrooms:
  • N/A
AFS client:

Can be run from any  Solaris PC that is configured as an AFS client
Remote Access:

Can be run from any  Windows, Linux, or Mac PC using an XServer application.
Installation CD available in Library:

  • No
Download Filesize:

Not available for download.

 
 

Return to Previous Page

 

Maintained by Information Services & Technology. Date of last update: 06/04/2009 12:20:21
Copyright © 2009 New Jersey Institute of Technology University Heights, Newark, New Jersey 07102-9895 (973) 596-3000
Site Feedback