How to cite

The paper

If you use pydseams, the seams CLI, or Lua dseams, cite the 2020 d-SEAMS paper:

Goswami, R.; Goswami, A.; Singh, J. K. d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations. J. Chem. Inf. Model. 2020, 60, 2169-2177. []

DOI 10.1021/acs.jcim.0c00031.

BibTeX for that article lives in the docs bibliography (docs/source/bibtex/pyseamsDocs.bib). CITATION.cff at the repository root lists the same preferred citation.

The software

pydseams is the Python package in PydSEAMSlib. The engine is seams-core. Lua is yodaStruct. Name the front end you ran.

Ice classification used pydseams, the Python bindings for the
d-SEAMS engine (https://github.com/d-SEAMS/PydSEAMSlib),
following Goswami, Goswami, and Singh, J. Chem. Inf. Model. 2020
(DOI 10.1021/acs.jcim.0c00031).

See also

• The yoda surface

• Frequently asked questions

• dseams.info