Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Module reorder

Module reorder

Functions

compute_aligned_rmsd(rpos, ratoms, tpos, patoms)

Reorder(ref, tgt, refsel, targetsel)
Return a clone of tgt with atoms in each residue reordered to match corresponding atoms in ref.

Function Details

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Reorder(ref, tgt, refsel, targetsel)

Return a clone of tgt with atoms in each residue reordered to match corresponding atoms in ref. The reordering will preserve atom topology (atomic number and degree) and minimize RMSD.