archive NanoShaper version 0.3.1 Popular
By Sergio Decherchi 393 downloads
NanoShaper 0.3.1 comes with two significant performance improvements: Skin Surface build-up time has been reduced by a factor of 5x-12x depending on the molecule. Ray casting for triangulated surfaces now uses the 2D acceleration grid that leads to a 3x performance speed-up. Additionally NanoShaper has an automated installer, called setup.py, that allows to install the required packages on Linux/Mac, and compile the code. The supported distributions/packet managers pairs are: apt-get/Ubuntu-Debian, yast/Suse, yum/RedHat-Centos, fink/Mac.
In the script and utilities section the pdb2xyzr.py script is given: this script translates a pdb file to a .xyzr using Amber99 radii set.