ex_NeighborGrid3D

ex_NeighborGrid3D finds possible structural neighbors of a given residue using a 3D hashing grid

USAGE: ex_NeighborGrid3D 2gb1.pdb 4.0 A:12

where 2gb1.pdb is an input file, 4.0 - grid size, A:12 - selector of a query residue

Categories:

  • core::calc::structural::NeighborGrid3D
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