sas_grid generates the solvent accessible surface grid around a given molecular structure. It reads a .xyz file and writes out a new file containing the grid point coordinates (labeled as XX) around it.
sas_grid is a free software written in Fortran 2003 language, being available at https://github.com/colombarifm/sas_grid under the GPLv3+ License. It runs under Linux environment with gfortran/gcc 5.4+ compilers.
Download the github repository and build it with fpm
git clone https://github.com/colombarifm/themis.git
cd sas_grid
fpm buildsas_grid --input [FILE] --radius [RADIUS] --factor [FACTOR]
[FILE] is a .xyz coordinate file.
[RADIUS] is the solvent probe radius, in Angstrom.
[FACTOR] is an integer factor for the tessellation sphere. For each atom-centered sphere, N_points = 2 + factor^2 * 10.
vdW radii for transition elements are still missing. The code will be updated soon.