Tutorial on running DOCK3.7 with blury-GIST

From DISI
Revision as of 09:43, 16 November 2017 by TBalius (Talk | contribs)

Jump to: navigation, search


Use the following python script to blur GIST grids:

 GIST_DX_tools/src/dx-gist_precalculate_sphere_gausian.py infile sphradius divider pad_radius outfileprefix

Note that the blurring process will shrink the grids slightly by the sphere radius.