Sphere Selector

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Sphere Selector

AUTHOR: P. Therese Lang

USAGE: sphere_selector < sphere_cluster_file.sph > <set_of_atoms.mol2> <radius>

Sphere_selector will take the ouput from spghen and select all spheres with a user-defined radius of a target molecule (see sphgen). The target molecule can be anything (ie known ligand, receptor residue, etc) as long as it is in proper MOL2 format. WARNING: Please note that above order of input files must be maintained for the program to work.