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| 1 | +:html_theme.sidebar_secondary.remove: |
| 2 | + |
| 3 | +CodeEntropy |
| 4 | +=========== |
| 5 | + |
| 6 | +.. ccpbiosim-hero:: |
| 7 | + :logo: _static/logos/biosim-codeentropy_logo_light.png |
| 8 | + :logo-alt: CodeEntropy logo |
| 9 | + :tagline: Entropy of macromolecular systems from MD simulations |
| 10 | + :button: getting_started | Get started |
| 11 | + :github: CCPBioSim/CodeEntropy |
| 12 | + |
| 13 | +This code is a complete and generally applicable set of tools for computing |
| 14 | +entropy of macromolecular systems from the forces sampled in a MD simulation. |
| 15 | + |
| 16 | +Quick start |
| 17 | +----------- |
| 18 | + |
| 19 | +.. tab-set:: |
| 20 | + |
| 21 | + .. tab-item:: pip |
| 22 | + |
| 23 | + .. code-block:: bash |
| 24 | +
|
| 25 | + pip install CodeEntropy |
| 26 | +
|
| 27 | + .. tab-item:: Conda |
| 28 | + |
| 29 | + .. code-block:: bash |
| 30 | +
|
| 31 | + conda install -c conda-forge -c ccpbiosim codeentropy |
| 32 | +
|
| 33 | + .. tab-item:: Run |
| 34 | + |
| 35 | + .. code-block:: bash |
| 36 | +
|
| 37 | + CodeEntropy --help |
| 38 | +
|
| 39 | +Explore the documentation |
| 40 | +------------------------- |
| 41 | + |
| 42 | +.. grid:: 1 2 2 3 |
| 43 | + :gutter: 3 |
| 44 | + |
| 45 | + .. grid-item-card:: 🚀 Getting Started |
| 46 | + :link: getting_started |
| 47 | + :link-type: doc |
| 48 | + |
| 49 | + Install CodeEntropy and run the examples. |
| 50 | + |
| 51 | + .. grid-item-card:: 📖 API |
| 52 | + :link: reference/CodeEntropy/index |
| 53 | + :link-type: doc |
| 54 | + |
| 55 | + Reference for the CodeEntropy package. |
| 56 | + |
| 57 | + .. grid-item-card:: 🔬 Science |
| 58 | + :link: science |
| 59 | + :link-type: doc |
| 60 | + |
| 61 | + The Multiscale Cell Correlation theory behind the method. |
| 62 | + |
| 63 | + .. grid-item-card:: ❓ FAQ |
| 64 | + :link: faq |
| 65 | + :link-type: doc |
| 66 | + |
| 67 | + Answers to common warnings and questions. |
| 68 | + |
| 69 | + .. grid-item-card:: 👩💻 Developer Guide |
| 70 | + :link: developer_guide |
| 71 | + :link-type: doc |
| 72 | + |
| 73 | + Setting up a development environment and contributing. |
| 74 | + |
| 75 | +.. toctree:: |
| 76 | + :maxdepth: 2 |
| 77 | + :hidden: |
| 78 | + |
| 79 | + Getting Started <getting_started> |
| 80 | + API <reference/CodeEntropy/index> |
| 81 | + Science <science> |
| 82 | + FAQ <faq> |
| 83 | + Developer Guide <developer_guide> |
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