Progressive alignment of crystals: reproducible and efficient assessment of crystal structure similarity

HIGHLIGHTS

  • who: MPI parallelization. et al. from the Computational Biomolecular Engineering Laboratory, University of Iowa, Iowa City, Iowa, USA, bSohyakuInnovative have published the Article: Progressive alignment of crystals: reproducible and efficient assessment of crystal structure similarity, in the Journal: (JOURNAL)
  • what: We have proposed the PAC algorithm for evaluating the similarity of two crystal_structures.
  • how: The biological crystals in this study were obtained from the RCSB Protein Data Bank (PDB http//www.rcsb.org/) (Berman et_al 2000) and are used to demonstrate PAC on larger systems.

SUMMARY

    Multiple algorithms have . . .

     

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