Name | Date | Size | #Lines | LOC | ||
---|---|---|---|---|---|---|
.. | 03-May-2022 | - | ||||
scoria/ | H | 26-Mar-2020 | - | 13,752 | 10,032 | |
scoria.egg-info/ | H | 03-May-2022 | - | 21 | 20 | |
test/ | H | 26-Mar-2020 | - | 23 | 8 | |
PKG-INFO | H A D | 26-Mar-2020 | 812 | 21 | 20 | |
README.md | H A D | 24-Oct-2018 | 1.5 KiB | 55 | 37 | |
setup.cfg | H A D | 26-Mar-2020 | 79 | 8 | 5 | |
setup.py | H A D | 26-Mar-2020 | 1.8 KiB | 45 | 29 |
README.md
1Scoria 2====== 3 4What is it? 5----------- 6 7The scoria library is a lightweight python code base designed for 8importing, manipulating, and exporting molecular models. 9 10The Latest Version 11------------------ 12 13Visit [https://git.durrantlab.com/jdurrant/scoria/tree/1.0.0](https://git.durrantlab.com/jdurrant/scoria/tree/1.0.0) 14to download the latest version. The same version is mirrored on GitHub. 15 16Visit [http://durrantlab.com/scoria/](http://durrantlab.com/scoria/) to: 17 18* read the documenation 19* suggest an improvement 20* point out a bug 21* ask a question about usage 22 23For MDAnalysis support, download Scoria MDA instead: [https://git.durrantlab.com/jdurrant/scoria/tree/1.0.0_mda](https://git.durrantlab.com/jdurrant/scoria/tree/1.0.0_mda). 24 25Licensing 26--------- 27 28Scoria is released under the Apache 2.0 license. See LICENCE.txt for details. 29 30Scoria MDA is derived from Scoria and includes MDAnalysis support. It is 31released under the GNU General Public License version 3.0. 32 33Installation 34------------ 35 36The scoria libarary can be installed via pip as 37 38```bash 39# for python 2 40pip install scoria 41 42# for python 3 43pip3 install scoria 44``` 45 46Scoria runs best with NumPy and SciPy. Some versions can also use the 47MDAnalysis library for additional import methods. The first two dependancies 48should be automatically installed alongside the package. 49 50Authors and Contacts 51-------------------- 52 53This library was produced by Jacob Durrant (durrantj@pitt.edu) with 54the assistance of Patrick Ropp and Aaron Friedman. 55