Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

[WIP] Rewrite of old documentation #110

Merged
merged 18 commits into from
Jan 29, 2016
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
4 changes: 2 additions & 2 deletions .travis.yml
Original file line number Diff line number Diff line change
Expand Up @@ -60,7 +60,7 @@ install:
- if [[ $TRAVIS_PYTHON_VERSION == 2.7 ]]; then pip install "mdanalysis>=0.11" --cache-dir $HOME/.cache/pip; fi
- pip install -e .
- if [[ $SETUP == 'doc' ]]; then pip install -r doc_requirements.txt --cache-dir $HOME/.cache/pip; fi
- if [[ $SETUP == 'doc' ]]; then ./doc-api/source/install_pandoc.sh; fi
- if [[ $SETUP == 'doc' ]]; then ./doc/source/install_pandoc.sh; fi


# command to run tests
Expand All @@ -69,6 +69,6 @@ script:
- if [[ $SETUP == 'test' ]]; then yes | ./run_demo1_assignation.sh; fi
- if [[ $SETUP == 'test' ]]; then yes | ./run_demo2_statistics.sh; fi
- if [[ $SETUP == 'test' ]]; then yes | ./run_demo2_clusters.sh; fi
- if [[ $SETUP == 'doc' ]]; then cd doc-api; sphinx-build -W -b html source build/html; fi
- if [[ $SETUP == 'doc' ]]; then cd doc; sphinx-build -W -b html source build/html; fi

#after_success:
60 changes: 44 additions & 16 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,40 +1,68 @@
Build Status from Travis CI [![Build Status](https://travis-ci.org/pierrepo/PBxplore.svg?branch=master)](https://travis-ci.org/pierrepo/PBxplore)
# PBxplore [![Build Status](https://travis-ci.org/pierrepo/PBxplore.svg?branch=master)](https://travis-ci.org/pierrepo/PBxplore)

---

**PBxplore** is a suite of tools dedicated to Protein Block analysis. Protein Blocks are structural prototypes defined by [de Brevern](http://www.dsimb.inserm.fr/~debrevern/index.php) *et al* [1]. The 3-dimensional local structure of a protein backbone can be modelized as an 1-dimensional sequence of PBs. In principle, any conformation of any amino acid could be represented by one of the sixteen available Protein Blocks (see Figure 1).
**PBxplore** is a suite of tools dedicated to Protein Block analysis.
Protein Blocks are structural prototypes defined by
[de Brevern](http://www.dsimb.inserm.fr/~debrevern/index.php) *et al* [1]. The 3-dimensional local
structure of a protein backbone can be modelized as an 1-dimensional sequence of PBs.
In principle, any conformation of any amino acid could be represented by one of
the sixteen available Protein Blocks (see Figure 1).

![PBs](doc/img/PBs.jpg "PBs")
![PBs](doc/source/img/PBs.jpg "PBs")

**Figure 1.** Schematic representation of the sixteen protein blocks, labeled from *a* to *p* (Creative commons CC BY).
**Figure 1.** Schematic representation of the sixteen protein blocks,
labeled from *a* to *p* ([Creative commons 4.0 CC-BY](https://creativecommons.org/licenses/by/4.0/)).

# Download

PBxplore provides both a python library and command-line tools. Basically, PBxplore can:

* **assign PBs** from either a PDB or either a molecular dynamics trajectory.
* use analysis tools to perform **statistical analysis** on PBs.
* use analysis tools to **study protein flexibility and deformability**.

For details, see the documentation at [https://pbxplore.readthedocs.org/en/latest/](https://pbxplore.readthedocs.org/en/latest/).

## Download

- [Get latest zip archive](https://github.com/pierrepo/PBxplore/archive/master.zip)
- Clone repository: `git clone [email protected]:pierrepo/PBxplore.git` or `git clone https://github.com/pierrepo/PBxplore.git`

# Requirements
## Requirements

PBxplore requires:
PBxplore requires:

* Python 2.7 or Python 3.x (>= 3.3)
* the [NumPy](http://numpy.scipy.org/ "NumPy") Python library,
* the R software.
* the [NumPy](http://numpy.scipy.org/ "NumPy") Python library,

Optionally, PBxplore can use:

* the [MDAnalysis](https://code.google.com/p/mdanalysis/) Python library (version >= 0.11) to read MD trajectories generated by Gromacs (.xtc files),
* [Mapltolib](http://matplotlib.org/) to generate plots.
* [WebLogo 3](http://weblogo.threeplusone.com/) to create logo from PB sequences.

# Documentation
## Documentation

All documentation are hosted by Read The Docs and can be found [here](https://pbxplore.readthedocs.org/en/latest/).

## Contact & Support

PBxplore is a research software and has been developped by:

* Pierre Poulain, DSIMB, Ets Poulain, Pointe-Noire, Congo
* Jonathan Barnoud, University of Groningen, Groningen, The Netherlands
* Hubert Santuz, DSIMB, Paris, France
* Alexandre G. de Brevern, DSIMB, Paris, France

If you want to report a bug, request a feature,
use the [GitHub issue system](https://github.com/pierrepo/PBxplore/issues>).


## Licence

- [Installation](doc/installation.md)
- [Introduction to Protein Blocks](doc/intro.PBs.md)
- [Single structure analysis](doc/single.structure.analysis.md)
- [Multiple conformation analysis](doc/multiple.conformation.analysis.md)
* [API documentation](http://pbxplore.readthedocs.org/en/latest/) [![Documentation Status](https://readthedocs.org/projects/pbxplore/badge/?version=latest)](http://pbxplore.readthedocs.org/en/latest/?badge=latest)
PBxplore is licensed under [The MIT License](https://github.com/pierrepo/PBxplore/blob/master/LICENSE).



# References
## References
[1] A. G. de Brevern, C. Etchebest and S. Hazout. Bayesian probabilistic approach for predicting backbone structures in terms of protein blocks. *Proteins* **41**: 271-288 (2000).
40 changes: 0 additions & 40 deletions doc-api/source/index.rst

This file was deleted.

File renamed without changes.
19 changes: 0 additions & 19 deletions doc/demontrastation.md

This file was deleted.

Binary file removed doc/img/md_traj.PB.map.frame.jpg
Binary file not shown.
22 changes: 0 additions & 22 deletions doc/installation.md

This file was deleted.

21 changes: 0 additions & 21 deletions doc/intro.PBs.md

This file was deleted.

File renamed without changes.
Loading