Science Score: 67.0%
This score indicates how likely this project is to be science-related based on various indicators:
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✓CITATION.cff file
Found CITATION.cff file -
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 1 DOI reference(s) in README -
✓Academic publication links
Links to: zenodo.org -
○Academic email domains
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (12.1%) to scientific vocabulary
Repository
Basic Info
- Host: GitHub
- Owner: AppleIntusion
- License: gpl-2.0
- Language: Python
- Default Branch: master
- Size: 116 MB
Statistics
- Stars: 1
- Watchers: 2
- Forks: 0
- Open Issues: 1
- Releases: 2
Metadata Files
README.md
MMAEVe - Membranes, Micelles, And Even Vesicles
MMAEVe is a simple python package for creating complex biomolecular systems. It can be used to distribute biomolecules about different surfaces, remove overlap between constructed system elements, write pdb files suitable for use as initial starting structures for Amber and Gromacs, and write Gromacs topology files. It is a simple but powerful tool that can be used to systematically generate complex structures.
Installation
Requirements
MMAEVe will work with python version >=3.5. Additionally, it requires the following packages:
bash
numpy
scipy
pandas
Installation
I intened to make MMAEVe available pip or conda at some point. For now just clone the repo then add it to your PYTHONPATH.
bash
git clone https://github.com/AppleIntusion/MMAEVe.git
export PYTHONPATH="${PYTHONPATH}":some_path/MMAEVe
Then it can be imported.
python
import MMAEVe as mav
Usage
A comprehensive tutorial is provided. It serves as an introduction to how MMAEVe works and showcase of systems that it can be used to create.
Example Systems
MMAEVe can be used to easily create complex systems. See the tutorial for usage. A couple examples of systems that can be created are shown below.
Membrane-Bridging
Covid Virion
Citation
Please cite using the citation under "About" if you use MMAEVe or incorporate it into a project.
Owner
- Name: Samuel Lindsay
- Login: AppleIntusion
- Kind: user
- Repositories: 1
- Profile: https://github.com/AppleIntusion
Computational chemist, I do stuff
Citation (CITATION.cff)
cff-version: 0.1.0 message: "If you use MMAEVe or incorporate it into an existing project, please cite it as below." authors: - family-names: "Lindsay" given-names: "Samuel" orcid: "" - family-names: "Sanchez" given-names: "Wesley" orcid: "" - family-names: "Li" given-names: "Yumin" orcid: "" title: "MMAEVe" version: 0.6.0 doi: 10.5281/zenodo.11105900 date-released: 2024-5-2 url: "https://github.com/AppleIntusion/MMAEVe"
GitHub Events
Total
- Issues event: 1
- Watch event: 1
- Issue comment event: 1
Last Year
- Issues event: 1
- Watch event: 1
- Issue comment event: 1
Issues and Pull Requests
Last synced: 10 months ago
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- Total pull requests: 0
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- Average comments per issue: 0.0
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 1
- Pull requests: 0
- Average time to close issues: N/A
- Average time to close pull requests: N/A
- Issue authors: 1
- Pull request authors: 0
- Average comments per issue: 0.0
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- comcon1 (1)