True graphical visualization of the Ramachandran surface topology as a periodic potential energy surface

The 2-torus representation of the 2D Ramachandran map shows the correct continuity of both of the independent variables (e.g., φ, ψ) related to its backbone potential energy surface (PES). Such a conversion of coordinate system is applied to the fold description of a typical peptide unit. In a 2-torus mode of representation any point of the PES becomes embedded in its true surrounding, no edges tumble the true topographic nature of the system. Torus viewer program free download:http://www.chem.elte.hu/departments/jimre/torus/

Jimre3


Kapcsolódó publikációk

  • Jákli I , Knak Jensen SJ , Csizmadia IG , Perczel A
    Variation of conformational properties at a glance. True graphical visualization of the Ramachandran surface topology as a periodic potential energy surface
    CHEMICAL PHYSICS LETTERS 547: pp. 82-88. (2012) Kivonat