Section: New Results

Development of a Hex SAMSON Element

Participants : Yassine Naimi, Sergei Grudinin.

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.

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.