=========== 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 `_. .. code-block:: bibtex @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 =============== .. code-block:: text 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]. Related software ================ - `seams-core `_ :: C++ engine and ``seams`` CLI - `pydseams `_ :: Python bindings on the same engine See also ======== - :doc:`library-not-cli` - :doc:`../reference/lua` - :doc:`../tutorials/index`