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Overall Objectives
New Results
Bibliography
Overall Objectives
New Results
Bibliography


Section: New Results

Development of a Hex SAMSON Element

Participants : Yassine Naimi, Sergei Grudinin.

Figure 17. Hex element.
IMG/Fig3.png

We developed a SAMSON Element to wrap Hex (17 ), an interactive protein docking software, written by Dave Ritchie (LORIA/Inria Nancy). With this element, users can define receptor/ligand structures displayed in the SAMSON viewport or import their PDB files. All the options available on the Hex software have been implemented in this SAMSON element.

Figure 18. Hex results.
IMG/Fig4.png

Then, by clicking on the Run button, docking solutions will be computed and clustered in a table (18) using the Hex algorithm. Users can show the resulted docking solutions by clicking on the play button, or the solution line in the table or the next/previous buttons.