d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations

  title={d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations},
  author={Rohit Goswami and Amrit Goswami and Jayant Kumar Singh},
  journal={Journal of chemical information and modeling},
Structural analyses are an integral part of computational research on nucleation and supercooled water, whose accuracy and efficiency can impact the validity and feasibility of such studies. The underlying molecular mechanisms of these often elusive and computationally expensive processes can be inferred from the evolution of ice-like structures, determined using appropriate structural analysis techniques. We present d-SEAMS, a free and open-source post-processing engine for the analysis of… 

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