Section: New Software and Platforms

SAMSON-UFF

Keywords: Algorithm - Bioinformatics - 3D - 3D modeling - Nanosystems - Molecular simulation

Functional Description: Universal Force Field : This SAMSON Element contains a new implementation of the Universal Force Field, with automatic structure perception. In order to use this interaction model, add a simulator to the document from the Simulation menu, and choose "Universal Force Field". The property window of the interaction model makes it possible to customize the perception and setup the interaction model (e.g. choose the cutoff), and displays the various energy types and the total energy.

Interactive Modeling Universal Force Field : It is an extension of UFF that combines the possibility to significantly modify molecular structures (as with reactive force fields) with a broad diversity of supported systems thanks to the universality of UFF. Such an extension lets the user easily build and edit molecular systems interactively while being guided by physics based inter-atomic forces.

• Authors: Leonard Jaillet and Svetlana Artemova

• Partner: Inria

• Contact: Stéphane Redon

• URL: https://samson-connect.net/app/main?key=element&uuid=8cbdc8b1-59e1-6459-d68f-b840275dd5e9