# pyscal ::::::{grid} 2 :gutter: 3 :::::{grid-item-card} pyscal :columns: 6 :img-top: /img/pyscal_v2_logo_1.png pyscal is a python module for the calculation of local atomic structural environments including Steinhardt's bond orientational order parameters during post-processing of atomistic simulation data. pyscal is written in C++ and python and has been used in over 30 scientific publications. [documentation](https://docs.pyscal.org)   |   [repository](https://github.com/pyscal/pyscal)   |   [publication](https://joss.theoj.org/papers/10.21105/joss.01824) ::::: :::::{grid-item-card} pyscal3 :columns: 6 :img-top: /img/pyscal_v3_logo_1.png pyscal3, a completely new pyscal which is faster and can handle a large number of atoms, with a much more user-friendly and intuitive interface. Adds more features such as more structure creation including grain boundaries, selection, and deletion of atoms. [documentation](https://v3.pyscal.org)   |   [repository](https://github.com/pyscal/pyscal3)   |   [publication](https://joss.theoj.org/papers/10.21105/joss.01824) ::::: :::::{grid-item-card} pyscal-rdf :columns: 6 :img-top: /img/pyscal_rdf_logo_1.png pyscal_rdf is a python tool for ontology-based creation, manipulation, and quering of structures. pyscal_rdf combines the power of pyscal3 and the [Computational Material Sample Ontology (CMSO)](https://github.com/Materials-Data-Science-and-Informatics/cmso-ontology) to create annotated structures than be queried. [documentation](https://rdf.pyscal.org)   |   [repository](https://github.com/pyscal/pyscal_rdf) ::::: :::::{grid-item} ::::{grid} 1 1 1 1 :gutter: 0 :::{grid-item-card} rdfjobs :columns: 12 Extension package to pyscal-rdf that provides fully annotated simulation outputs using the workflow environment [pyiron](https://pyiron.org). [documentation](https://rdf.pyscal.org)   |   [repository](https://github.com/pyscal/rdfjobs) ::: :::: ::::: ::::::