Section: New Results

Symmetry mate generator for SAMSON

Participants : Guillaume Pagès, Sergei Grudinin.

Figure 21. The Symmetry Mate element.

Many biological systems are composed of several identical units structurally organized in a symmetric manner. To observe the atomistic contacts in a system, one needs to replicate the asymmetric unit and apply specific rigid-body operations to it. We developed a SAMSON element that is able to read these operations from a file, and which provides a way to replicate the subunits in a user-friendly fashion.