Create peptide PDB files with specified geometry
Project description
PeptideBuilder: A simple Python library to generate model peptides.
Matthew Z. Tien, Dariya K. Sydykova, Austin G. Meyer, and Claus O. Wilke
Installation
You can install PeptideBuilder with pip:
pip install PeptideBuilder
PeptideBuilder has one required dependency: Biopython
Examples
For example usage, we encourage you to checkout the scripts in the examples
folder and in the tests
folder. The examples
folder contains two scripts showing typical usage. The script simpleExample.py
is a brief example script demonstrating basic use of the PeptideBuilder library. The script evaluation.py
reproduces the results presented in Table 1 of Tien et al. (2013).
The file test_PeptideBuilder.py
in tests
contains extensive tests for the various functions provided by this library and may also be useful if you're looking for example usage.
Misc
The software is provided to you under the MIT license (see file LICENSE). The most up-to-date version of this software is available at https://github.com/clauswilke/PeptideBuilder.
To test whether your installation works properly, run pytest
in the top-level project folder.
Contributing
Pull requests are welcome on GitHub. However, to be accepted, contributions must:
- Be styled with
black
- Be linted with
pylint
- Be type-checked with
mypy
- Pass the
pytest
unit tests
Thus, before contributing code make sure the following commands exit without errors when run from the root directory of the Peptide Builder project:
pytest
black .
mypy PeptideBuilder/
pylint --rcfile=setup.cfg PeptideBuilder/
Reference: M. Z. Tien, D. K. Sydykova, A. G. Meyer, C. O. Wilke (2013). PeptideBuilder: A simple Python library to generate model peptides. PeerJ 1:e80.
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