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JOSS formatting
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ljwoods2 committed Dec 7, 2024
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14 changes: 9 additions & 5 deletions joss_paper/paper.bib
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Expand Up @@ -57,7 +57,7 @@ @article{H5MD:2014
pages = {1546-1553},
year = {2014},
issn = {0010-4655},
doi = {https://doi.org/10.1016/j.cpc.2014.01.018},
doi = {10.1016/j.cpc.2014.01.018},
url = {https://www.sciencedirect.com/science/article/pii/S0010465514000447},
author = {Pierre {de Buyl} and Peter H. Colberg and Felix Höfling},
keywords = {Molecular simulation, HDF5},
Expand Down Expand Up @@ -89,7 +89,8 @@ @INPROCEEDINGS{MDAKits:2023
pages = "76--84",
year = 2023,
conference = "Python in Science Conference",
location = "Austin, Texas"
location = "Austin, Texas",
doi = {10.25080/gerudo-f2bc6f59-00a}
}


Expand All @@ -112,7 +113,7 @@ @article{MDAnalysis:2011
number = {10},
pages = {2319-2327},
keywords = {molecular dynamics simulations, analysis, proteins, object-oriented design, software, membrane systems, Python programming language},
doi = {https://doi.org/10.1002/jcc.21787},
doi = {10.1002/jcc.21787},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.21787},
eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.21787},
abstract = {Abstract MDAnalysis is an object-oriented library for structural and temporal analysis of molecular dynamics (MD) simulation trajectories and individual protein structures. It is written in the Python language with some performance-critical code in C. It uses the powerful NumPy package to expose trajectory data as fast and efficient NumPy arrays. It has been tested on systems of millions of particles. Many common file formats of simulation packages including CHARMM, Gromacs, Amber, and NAMD and the Protein Data Bank format can be read and written. Atoms can be selected with a syntax similar to CHARMM's powerful selection commands. MDAnalysis enables both novice and experienced programmers to rapidly write their own analytical tools and access data stored in trajectories in an easily accessible manner that facilitates interactive explorative analysis. MDAnalysis has been tested on and works for most Unix-based platforms such as Linux and Mac OS X. It is freely available under the GNU General Public License from http://mdanalysis.googlecode.com. © 2011 Wiley Periodicals, Inc. J Comput Chem 2011},
Expand All @@ -127,6 +128,7 @@ @misc{MDDB:2024
archivePrefix={arXiv},
primaryClass={q-bio.BM},
url={https://arxiv.org/abs/2407.16584},
doi={10.48550/arXiv.2407.16584}
}

@article{MDsrv:2022,
Expand Down Expand Up @@ -278,7 +280,7 @@ @article{YiiP:2019
year = "2019",
month = "5",
url = "https://figshare.com/articles/dataset/Molecular_Dynamics_trajectories_of_membrane_protein_YiiP/8202149",
doi = "10.6084/m9.figshare.8202149.v1"
doi = {10.6084/m9.figshare.8202149.v1}
}

@misc{Zarr:2024,
Expand Down Expand Up @@ -315,4 +317,6 @@ @article{Liu:2010
pages = {1561-1563},
title = {Fast determination of the optimal rotational matrix for macromolecular superpositions},
volume = 31,
year = 2010}
year = 2010,
doi = {10.1002/jcc.21439},
}
12 changes: 6 additions & 6 deletions joss_paper/paper.md
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Expand Up @@ -9,22 +9,22 @@ tags:
authors:
- name: Lawson Woods
orcid: 0009-0003-0713-4167
affiliation: [1, 2]
affiliation: "1, 2"
- name: Hugo MacDermott-Opeskin
orcid: 0000-0002-7393-7457
affiliation: [3]
affiliation: "3"
- name: Edis Jakupovic
affiliation: [4, 5]
affiliation: "4, 5"
orcid: 0000-0001-8813-6356
- name: Yuxuan Zhuang
orcid: 0000-0003-4390-8556
affiliation: [6, 7]
affiliation: "6, 7"
- name: Richard J Gowers
orcid: 0000-0002-3241-1846
affiliation: [8]
affiliation: "8"
- name: Oliver Beckstein
orcid: 0000-0003-1340-0831
affiliation: [4, 5]
affiliation: "4, 5"
affiliations:
- name: School of Computing and Augmented Intelligence, Arizona State University, Tempe, Arizona, United States of America
index: 1
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