From 8db7e5f49ee8d8e660754ba54ca71287a6d4bf74 Mon Sep 17 00:00:00 2001 From: Jared Sampson Date: Mon, 12 Aug 2019 23:03:31 -0400 Subject: [PATCH] Add citation instructions. --- README.md | 42 +++++++++++++++++++++++++++++++++++++++++- 1 file changed, 41 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index df74ed4..5e74a25 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ # PyMOLProbity -#### A MOLProbity visualization plugin for PyMOL +#### A MolProbity-style visualization plugin for PyMOL The PyMOLProbity plugin allows a [PyMOL][] user to produce MolProbity-style visualization of atomic interactions within a structure (e.g. H-bonds, van der @@ -146,6 +146,7 @@ Save these using the *Save Selections* button. Finally, use the *Visualize Contacts* tab to run Probe on the modified coordinates and generate contact dots and clash vectors for all the atoms in your object. + ## Development Users who wish to inspect or tinker with the code or contribute to development @@ -231,12 +232,14 @@ For a closer look at the plugin, to run tests yourself, or to help improve this plugin, please feel free to clone or fork this repository. Bug reports and pull requests are definitely welcome! + ## Versioning PyMOLProbity uses [semantic versioning](http://semver.org/). For the versions available, see the [tags on this repository](https://github.com/jaredsampson/pymolprobity/tags). + ## Authors ### Primary Author @@ -255,6 +258,43 @@ repository](https://github.com/jaredsampson/pymolprobity/tags). * **Thomas Holder** - "quad" dots visualization style and a number of other improvements and bugfixes. + +## Citing PyMOLProbity + +Please cite the PyMOLProbity plugin with the following information: + + Sampson, Jared M. PyMOLProbity: a MolProbity-style visualization plugin for PyMOL, . (). + +where: + +* `` is the version number for the [release][releases] you used (e.g. v0.1.4); +* `` is the date that release version was made available; and +* `` is either: + * the address of this repository on GitHub (https://github.com/jaredsampson/pymolprobity); or + * the DOI associated with the release, available on the [releases][] page. + + [releases]: https://github.com/jaredsampson/pymolprobity/releases + +For example, a BibTeX-formatted citation might look like this: + +``` +@software{pymolprobity, + author = {Sampson, Jared M.}, + title = {PyMOLProbity: a MolProbity-style visualization plugin for PyMOL}, + url = {https://github.com/jaredsampson/pymolprobity}, + version = {0.1.4}, + date = {2019-08-12}, +} + +``` + +Remember also that PyMOLProbity uses the Reduce, Probe, Flipkin and Prekin +programs from the Richardson group's MolProbity package, so please cite those +as well. Some relevant information may be found [here][mpabout]. + + [mpabout]: http://molprobity.biochem.duke.edu/help/about.html + + ## License This project is licensed under the MIT License - see [LICENSE.md](LICENSE.md)