molscene 0.1.2__tar.gz

molscene-0.1.2/CODE_OF_CONDUCT.md

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+# Contributor Covenant Code of Conduct
+
+## Our Pledge
+
+In the interest of fostering an open and welcoming environment, we as
+contributors and maintainers pledge to making participation in our project and
+our community a harassment-free experience for everyone, regardless of age,
+body size, disability, ethnicity, gender identity and expression, level of
+experience, nationality, personal appearance, race, religion, or sexual
+identity and orientation.
+
+## Our Standards
+
+Examples of behavior that contributes to creating a positive environment include:
+
+* Using welcoming and inclusive language
+* Being respectful of differing viewpoints and experiences
+* Gracefully accepting constructive criticism
+* Focusing on what is best for the community
+* Showing empathy towards other community members
+
+Examples of unacceptable behavior by participants include:
+
+* The use of sexualized language or imagery and unwelcome sexual attention or advances
+* Trolling, insulting/derogatory comments, and personal or political attacks
+* Public or private harassment
+* Publishing others' private information, such as a physical or electronic address, without explicit permission
+* Other conduct which could reasonably be considered inappropriate in a professional setting
+
+## Our Responsibilities
+
+Project maintainers are responsible for clarifying the standards of acceptable
+behavior and are expected to take appropriate and fair corrective action in
+response to any instances of unacceptable behavior.
+
+Project maintainers have the right and responsibility to remove, edit, or
+reject comments, commits, code, wiki edits, issues, and other contributions
+that are not aligned to this Code of Conduct, or to ban temporarily or
+permanently any contributor for other behaviors that they deem inappropriate,
+threatening, offensive, or harmful.
+
+Moreover, project maintainers will strive to offer feedback and advice to
+ensure quality and consistency of contributions to the code.  Contributions
+from outside the group of project maintainers are strongly welcomed but the
+final decision as to whether commits are merged into the codebase rests with
+the team of project maintainers.
+
+## Scope
+
+This Code of Conduct applies both within project spaces and in public spaces
+when an individual is representing the project or its community. Examples of
+representing a project or community include using an official project e-mail
+address, posting via an official social media account, or acting as an
+appointed representative at an online or offline event. Representation of a
+project may be further defined and clarified by project maintainers.
+
+## Enforcement
+
+Instances of abusive, harassing, or otherwise unacceptable behavior may be
+reported by contacting the project team at 'carlos.bueno@rice.edu'. The project team will
+review and investigate all complaints, and will respond in a way that it deems
+appropriate to the circumstances. The project team is obligated to maintain
+confidentiality with regard to the reporter of an incident. Further details of
+specific enforcement policies may be posted separately.
+
+Project maintainers who do not follow or enforce the Code of Conduct in good
+faith may face temporary or permanent repercussions as determined by other
+members of the project's leadership.
+
+## Attribution
+
+This Code of Conduct is adapted from the [Contributor Covenant][homepage],
+version 1.4, available at
+[http://contributor-covenant.org/version/1/4][version]
+
+[homepage]: http://contributor-covenant.org
+[version]: http://contributor-covenant.org/version/1/4/

molscene-0.1.2/LICENSE

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+
+MIT License
+
+Copyright (c) 2025 Carlos Bueno
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

molscene-0.1.2/MANIFEST.in

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+include CODE_OF_CONDUCT.md
+
+global-exclude *.py[cod] __pycache__ *.so

molscene-0.1.2/PKG-INFO

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+Metadata-Version: 2.4
+Name: molscene
+Version: 0.1.2
+Summary: PDB/mmCIF file parsing using pandas DataFrames
+Author-email: Carlos Bueno <carlos.bueno@rice.edu>
+License-Expression: MIT
+Classifier: Programming Language :: Python :: 3
+Requires-Python: >=3.8
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: pandas>=1.3.3
+Requires-Dist: numpy>=1.21.0
+Provides-Extra: test
+Requires-Dist: pytest>=6.1.2; extra == "test"
+Dynamic: license-file
+
+MolScene
+==============================
+[//]: # (Badges)
+[![GitHub Actions Build Status](https://github.com/cabb99/molscene/workflows/CI/badge.svg)](https://github.com/cabb99/molscene/actions?query=workflow%3ACI)
+[![codecov](https://codecov.io/gh/cabb99/MolScene/branch/main/graph/badge.svg)](https://codecov.io/gh/cabb99/MolScene/branch/main)
+
+
+PDB file parsing using pandas DataFrames
+
+### Copyright
+
+Copyright (c) 2025, Carlos Bueno
+
+
+#### Acknowledgements
+ 
+Project based on the 
+[Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.10.

molscene-0.1.2/README.md

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+MolScene
+==============================
+[//]: # (Badges)
+[![GitHub Actions Build Status](https://github.com/cabb99/molscene/workflows/CI/badge.svg)](https://github.com/cabb99/molscene/actions?query=workflow%3ACI)
+[![codecov](https://codecov.io/gh/cabb99/MolScene/branch/main/graph/badge.svg)](https://codecov.io/gh/cabb99/MolScene/branch/main)
+
+
+PDB file parsing using pandas DataFrames
+
+### Copyright
+
+Copyright (c) 2025, Carlos Bueno
+
+
+#### Acknowledgements
+ 
+Project based on the 
+[Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.10.