We developed TensorCalculator package - a utility supplement to the SOP-GPU package, which allows to compute a map of distribution of total potential energy, mechanical stress and strain in biomolecule subject to external force perturbation, i.e. forced indentation, forced unfolding. To download the package click here.
The map of total potential energy distribution on the surface of CCMV capsid subjected to a forced intentation.
The map of Cauchy stress distribution on the surface of microtubule lattice, subjected to a forced indentation. Shown is a normal component of the Cauchy stress tensor projected on the vector along indentation direction, i.e. perpendicular to the lattice surface.
The map of Green strain tensor distribution on the surface of microtubule lattice, subjected to a forced indentation. Shown are a normal (along the axis) and shear (in a plane perpendicular to the axis) components of the Green strain tensor projected on the vector along the microtubule cylinder axis.
Normal:
Shear: