How to cite#

If you use this library, cite the d-SEAMS paper. The software record is the CITATION.cff in this tree.

Preferred citation#

Goswami, Rohit; Goswami, Amrita; Singh, Jayant Kumar. d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations. Journal of Chemical Information and Modeling 2020, doi:10.1021/acs.jcim.0c00031.

@article{goswami2020dseams,
  author  = {Goswami, Rohit and Goswami, Amrita and Singh, Jayant Kumar},
  title   = {d-{SEAMS}: Deferred Structural Elucidation Analysis
             for Molecular Simulations},
  journal = {Journal of Chemical Information and Modeling},
  year    = {2020},
  doi     = {10.1021/acs.jcim.0c00031},
}

Software citation#

CITATION.cff names the software yodaStruct: Lua and Fennel front end for d-SEAMS and points the preferred citation at the paper above. Cite the paper for the methods. Cite the CFF when you need a software artifact (repository d-SEAMS/yodaStruct, license MIT).

Call the library dseams in prose (require("dseams")). The repository name remains yodaStruct.

Acknowledgments#

Structural classification used dseams
(https://github.com/d-SEAMS/yodaStruct), the Lua and Fennel
library for the d-SEAMS engine [Goswami, Goswami, and Singh,
J. Chem. Inf. Model. 2020, 10.1021/acs.jcim.0c00031].

See also#