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Software Details |
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Software Details
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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
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Available to:
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Installed in the following compulting labs:
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Installed in the following classrooms:
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AFS client:
Can be run from any Solaris PC that is configured as an AFS client
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Remote Access:
Can be run from any Windows, Linux, or Mac PC using an
XServer application. |
Installation CD available in Library:
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Download Filesize:
Not available for download.
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