Sphere Selector: Difference between revisions
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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. | |||
[[Category:Software]] | |||
[[Category:Docking]] | |||
Latest revision as of 04:26, 14 February 2014
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.