• Posted on: 3 August 2016
  • By: liuk

Install : tar xjvf sPRE.tar.bz2; chmod a+x sPRE.x

Usage : ./sPRE.x (pdb file) (Rprobe) (Dpara) (Atom)

Rprobe: the size of paramagnetic probe Dpara : the concentricity of paramagnetic center, 0 means right at the center Atom : the name of atom used for sPRE calculation, which is listed in the third column of the pdb file. 'HM' represents protons of methyl group

Resource files: 
Binary Data sPRE.tar.bz2276.35 KB