Van der Wal Radii In Electronic Form

[johnewarren]

Does anyone know a good source of atomic radii/van der Wal radii in electronic format for use with the new Olex2 calc void function and other applications? I've seen a file win WinGX called Elements.dat which may work?

[rjgildea]

Does anyone know a good source of atomic radii/van der Wal radii in electronic format for use with the new Olex2 calc void function and other applications? I've seen a file win WinGX called Elements.dat which may work?

You may want to look into the cctbx sources, particularly in the folder cctbx/eltbx, you may find some files there that could be of use. The file van_der_waals_radii.py in particular looks as if it could be used independently of the cctbx.