tmquick 1.0.4__tar.gz → 1.0.6__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (36) hide show
  1. {tmquick-1.0.4/tmquick.egg-info → tmquick-1.0.6}/PKG-INFO +7 -4
  2. {tmquick-1.0.4 → tmquick-1.0.6}/README.md +5 -3
  3. {tmquick-1.0.4 → tmquick-1.0.6}/pyproject.toml +1 -1
  4. {tmquick-1.0.4 → tmquick-1.0.6}/readme_pypi.md +6 -3
  5. {tmquick-1.0.4 → tmquick-1.0.6/tmquick.egg-info}/PKG-INFO +7 -4
  6. {tmquick-1.0.4 → tmquick-1.0.6}/LICENSE.md +0 -0
  7. {tmquick-1.0.4 → tmquick-1.0.6}/MANIFEST.in +0 -0
  8. {tmquick-1.0.4 → tmquick-1.0.6}/setup.cfg +0 -0
  9. {tmquick-1.0.4 → tmquick-1.0.6}/setup.py +0 -0
  10. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/__init__.py +0 -0
  11. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/cli.py +0 -0
  12. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/__init__.py +0 -0
  13. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/average_trajmap_cli.py +0 -0
  14. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/csv2shift_cli.py +0 -0
  15. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/diff2graph_cli.py +0 -0
  16. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/hotspot_cli.py +0 -0
  17. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/pdb2csv_cli.py +0 -0
  18. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/shift2graph_cli.py +0 -0
  19. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/traj2pdb_cli.py +0 -0
  20. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/commands/trajmap_cli.py +0 -0
  21. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/__init__.py +0 -0
  22. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/average_trajmap.py +0 -0
  23. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/csv2shift.py +0 -0
  24. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/diff2graph.py +0 -0
  25. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/hotspot.py +0 -0
  26. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/pdb2csv.py +0 -0
  27. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/shift2graph.py +0 -0
  28. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/traj2pdb.py +0 -0
  29. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/trajmap.py +0 -0
  30. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/utils/__init__.py +0 -0
  31. {tmquick-1.0.4 → tmquick-1.0.6}/tmq/utils/utils.py +0 -0
  32. {tmquick-1.0.4 → tmquick-1.0.6}/tmquick.egg-info/SOURCES.txt +0 -0
  33. {tmquick-1.0.4 → tmquick-1.0.6}/tmquick.egg-info/dependency_links.txt +0 -0
  34. {tmquick-1.0.4 → tmquick-1.0.6}/tmquick.egg-info/entry_points.txt +0 -0
  35. {tmquick-1.0.4 → tmquick-1.0.6}/tmquick.egg-info/requires.txt +0 -0
  36. {tmquick-1.0.4 → tmquick-1.0.6}/tmquick.egg-info/top_level.txt +0 -0
{tmquick-1.0.4/tmquick.egg-info → tmquick-1.0.6}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: tmquick
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- Version: 1.0.4
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+ Version: 1.0.6
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  Summary: TrajMapQuick: Towards Fast Trajectory Map Analysis and Visualization
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  Author: Wande M. Oluyemi (PhD), Adeniyi T. Adewumi (PhD), Shadrach C. Eze, Stephen C. Nnemolisa, @ Research Laboratory for Rational Design of Drugs and Biomaterials (ResLaR Labs), Afe Babalola University, Ado-Ekiti Nigeria
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  Project-URL: Homepage, https://github.com/SHEDOOMTC/TrajMapQuick.git
@@ -134,7 +134,7 @@ jupyter notebook Python_API.ipynb
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  All library requirements are pre-installed installed via pip or conda and are available for use in CLI or via Python API
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  ## **Examples**
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- Three trajectories and topologies files are included in the **[Test](./Test)** directory for users to try out the codes. Trajectory 1 has only 125 frames (from apo strucuture of PDB ID: 8EM8 with 789 residues) while others have 250 frames (from apo and bound strucutres of BACE1, with 389 residues). To get the full sized trajectories, see [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681326.svg)](https://doi.org/10.5281/zenodo.20681326)
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+ Three trajectories and topologies files are included in the **[Test](./Test)** directory for users to try out the codes. Trajectory 1 has only 125 frames (from apo strucuture of PDB ID: 8EM8 with 789 residues) while others have 250 frames (from apo and bound strucutres of BACE1, with 389 residues). To get the full sized trajectories, see [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681326-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681326)
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  See the full examples on **[Github](https://github.com/SHEDOOMTC/TrajMapQuick/blob/main/README.md)**
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@@ -168,9 +168,12 @@ For questions or issues, please contact us @ [Reslar Labs](reslarscience@gmail.c
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  If you use TrajMapQuick, please cite: SHEDOOMTC. (2026). TrajMapQuick: Towards Fast Trajectory Map Analysis and Visualization (v1.0). Zenodo. https://doi.org/10.5281/zenodo.20681061
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  **Software:**
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681061.svg)](https://doi.org/10.5281/zenodo.20681061)
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+ [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681061-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681061)
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  **Dataset:**
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681326.svg)](https://doi.org/10.5281/zenodo.20681326)
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+ [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681326-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681326)
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{tmquick-1.0.4 → tmquick-1.0.6}/README.md RENAMED
@@ -149,7 +149,7 @@ TrajMapQuick/
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  All library requirements are pre-installed installed via pip or conda and are available for use in CLI or via Python API
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  ## **Examples**
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- Three trajectories and topologies files are included in the **[Test](./Test)** directory for users to try out the codes. Trajectory 1 has only 125 frames (from apo strucuture of PDB ID: 8EM8 with 789 residues) while others have 250 frames (from apo and bound strucutres of BACE1, with 389 residues). To get the full sized trajectories, see [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681326.svg)](https://doi.org/10.5281/zenodo.20681326)
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+ Three trajectories and topologies files are included in the **[Test](./Test)** directory for users to try out the codes. Trajectory 1 has only 125 frames (from apo strucuture of PDB ID: 8EM8 with 789 residues) while others have 250 frames (from apo and bound strucutres of BACE1, with 389 residues). To get the full sized trajectories, see [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681326-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681326)
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  The Utility of the shift command (using a 500 frame trajectory) was shown by the figure below:
@@ -206,10 +206,12 @@ For questions or issues, please contact us @ [Reslar Labs](reslarscience@gmail.c
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  If you use TrajMapQuick, please cite: SHEDOOMTC. (2026). TrajMapQuick: Towards Fast Trajectory Map Analysis and Visualization (v1.0). Zenodo. https://doi.org/10.5281/zenodo.20681061
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  **Software:**
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681061.svg)](https://doi.org/10.5281/zenodo.20681061)
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+ [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681061-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681061)
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  **Dataset:**
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681326.svg)](https://doi.org/10.5281/zenodo.20681326)
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+ [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681326-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681326)
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{tmquick-1.0.4 → tmquick-1.0.6}/pyproject.toml RENAMED
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  [project]
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  name = "tmquick"
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- version = "1.0.4"
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+ version = "1.0.6"
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  readme = "readme_pypi.md"
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  description = "TrajMapQuick: Towards Fast Trajectory Map Analysis and Visualization"
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  authors = [
{tmquick-1.0.4 → tmquick-1.0.6}/readme_pypi.md RENAMED
@@ -109,7 +109,7 @@ jupyter notebook Python_API.ipynb
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  All library requirements are pre-installed installed via pip or conda and are available for use in CLI or via Python API
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  ## **Examples**
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- Three trajectories and topologies files are included in the **[Test](./Test)** directory for users to try out the codes. Trajectory 1 has only 125 frames (from apo strucuture of PDB ID: 8EM8 with 789 residues) while others have 250 frames (from apo and bound strucutres of BACE1, with 389 residues). To get the full sized trajectories, see [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681326.svg)](https://doi.org/10.5281/zenodo.20681326)
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+ Three trajectories and topologies files are included in the **[Test](./Test)** directory for users to try out the codes. Trajectory 1 has only 125 frames (from apo strucuture of PDB ID: 8EM8 with 789 residues) while others have 250 frames (from apo and bound strucutres of BACE1, with 389 residues). To get the full sized trajectories, see [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681326-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681326)
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  See the full examples on **[Github](https://github.com/SHEDOOMTC/TrajMapQuick/blob/main/README.md)**
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@@ -143,9 +143,12 @@ For questions or issues, please contact us @ [Reslar Labs](reslarscience@gmail.c
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  If you use TrajMapQuick, please cite: SHEDOOMTC. (2026). TrajMapQuick: Towards Fast Trajectory Map Analysis and Visualization (v1.0). Zenodo. https://doi.org/10.5281/zenodo.20681061
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  **Software:**
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681061.svg)](https://doi.org/10.5281/zenodo.20681061)
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+ [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681061-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681061)
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  **Dataset:**
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681326.svg)](https://doi.org/10.5281/zenodo.20681326)
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+ [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681326-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681326)
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{tmquick-1.0.4 → tmquick-1.0.6/tmquick.egg-info}/PKG-INFO RENAMED
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  Metadata-Version: 2.4
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  Name: tmquick
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- Version: 1.0.4
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+ Version: 1.0.6
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  Summary: TrajMapQuick: Towards Fast Trajectory Map Analysis and Visualization
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  Author: Wande M. Oluyemi (PhD), Adeniyi T. Adewumi (PhD), Shadrach C. Eze, Stephen C. Nnemolisa, @ Research Laboratory for Rational Design of Drugs and Biomaterials (ResLaR Labs), Afe Babalola University, Ado-Ekiti Nigeria
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  Project-URL: Homepage, https://github.com/SHEDOOMTC/TrajMapQuick.git
@@ -134,7 +134,7 @@ jupyter notebook Python_API.ipynb
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  All library requirements are pre-installed installed via pip or conda and are available for use in CLI or via Python API
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  ## **Examples**
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- Three trajectories and topologies files are included in the **[Test](./Test)** directory for users to try out the codes. Trajectory 1 has only 125 frames (from apo strucuture of PDB ID: 8EM8 with 789 residues) while others have 250 frames (from apo and bound strucutres of BACE1, with 389 residues). To get the full sized trajectories, see [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681326.svg)](https://doi.org/10.5281/zenodo.20681326)
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+ Three trajectories and topologies files are included in the **[Test](./Test)** directory for users to try out the codes. Trajectory 1 has only 125 frames (from apo strucuture of PDB ID: 8EM8 with 789 residues) while others have 250 frames (from apo and bound strucutres of BACE1, with 389 residues). To get the full sized trajectories, see [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681326-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681326)
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  See the full examples on **[Github](https://github.com/SHEDOOMTC/TrajMapQuick/blob/main/README.md)**
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@@ -168,9 +168,12 @@ For questions or issues, please contact us @ [Reslar Labs](reslarscience@gmail.c
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  If you use TrajMapQuick, please cite: SHEDOOMTC. (2026). TrajMapQuick: Towards Fast Trajectory Map Analysis and Visualization (v1.0). Zenodo. https://doi.org/10.5281/zenodo.20681061
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  **Software:**
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681061.svg)](https://doi.org/10.5281/zenodo.20681061)
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+ [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681061-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681061)
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  **Dataset:**
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- [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20681326.svg)](https://doi.org/10.5281/zenodo.20681326)
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+ [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.20681326-3C5A99?logo=zenodo&logoColor=white)](https://doi.org/10.5281/zenodo.20681326)
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{tmquick-1.0.4 → tmquick-1.0.6}/LICENSE.md RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/MANIFEST.in RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/setup.cfg RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/setup.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/__init__.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/cli.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/__init__.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/csv2shift.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/diff2graph.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/hotspot.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/pdb2csv.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/shift2graph.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/traj2pdb.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/core/trajmap.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/utils/__init__.py RENAMED
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{tmquick-1.0.4 → tmquick-1.0.6}/tmq/utils/utils.py RENAMED
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