CITATION.cff

cff-version: 1.1.0
message: "If you use this software, please cite it as below."
authors:
  - family-names: Goswami
    given-names: Amrita
    orcid: http://orcid.org/0000-0001-8706-2383
    affiliation: "Indian Institute of Technology Kanpur"
  - family-names: Goswami
    given-names: Rohit
    orcid: http://orcid.org/0000-0002-2393-8056
    affiliation: "University of Iceland"
    email: "rgoswami@ieee.org"
    website: https://rgoswami.me
title: "d-SEAMS (Deferred Structural Elucidation Analysis for Molecular Simulations)"
version: 1.0.1
doi: 10.5281/zenodo.3874292
date-released: 2020-06-03
license: MIT
abstract: |
  d-SEAMS is a collection of analysis tools for molecular simulations. It has
  been implemented as a High Performance Cluster enabled engine in C++, with
  extensions via the Lua scripting interface. The code sheds light on the
  structures from simulation trajectories, in terms of their topology and it has
  been tailored for the analysis of nucleating systems.
repository-code: https://github.com/d-SEAMS/seams-core/
url: https://dseams.info
references:
  - type: article
    title: "d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations"
    doi: 10.1021/acs.jcim.0c00031
    authors:
      - family-names: Goswami
        given-names: Amrita
        orcid: http://orcid.org/0000-0001-8706-2383
        affiliation: "Indian Institute of Technology Kanpur"
      - family-names: Goswami
        given-names: Rohit
        orcid: http://orcid.org/0000-0002-2393-8056
        affiliation: "Indian Institute of Technology"
        email: "rgoswami@ieee.org"
        website: https://rgoswami.me
      - family-names: Singh
        name-particle: K.
        given-names: Jayant
        orcid: http://orcid.org/0000-0001-8056-2115
        affiliation: "Indian Institute of Technology"
  - type: data
    title: "Sample Trajectories"
    url: https://figshare.com/projects/d-SEAMS_Datasets/73545