Metadata-Version: 2.1
Name: pybindingcurve
Version: 1.0.0
Summary: Protein ligand binding simulation in Python
Home-page: https://github.com/stevenshave/pybindingcurve
Author: Steven Shave
Author-email: steve.nshave@gmail.com
License: UNKNOWN
Description: # PyBindingCurve
        
        PyBindingCurve is a Python package for simulation, plotting and fitting of experimental parameters to protein-ligand binding systems at equilibrium.  In simple terms, the most basic functionality allows simulation of a two species binding to each other as a function of their concentrations and the dissociation constant (K<sub>D</sub>) between the two species.  A number of systems are built in and can be solved using direct analytical, kinetic, or Langrange multiplier based techniques.  User-defined custom systems can also be specified using a simple syntax.
        
        ![PyBindingCurve simulation](https://raw.githubusercontent.com/stevenshave/pybindingcurve/master/pybindingcurve_logo.png "Breaking a dimer")
        
        # Installation
        PyBindingCurve may be installed from source present in the GitHub repository https://github.com/stevenshave/pybindingcurve via git pull, or from the Python Package Index (https://pypi.org/project/pybindingcurve/) using the command :
        > pip install pybindingcurve
        
        # Requirements
        PyBindingCurve was developed using python 3.7.1 but should work with any Python version 3.6 or greater. The following packages are also required
        - Matplotlib (2.x)
        - Numpy (1.15.x)
        - lm_fit (1.0.0)
        - mpmath (1.1.0)
        
        # Licence
        [MIT License](https://github.com/stevenshave/pybindingcurve/blob/master/LICENSE)
        
        
        
        # Usage
        A tutorial and API documentation can be found [here](https://stevenshave.github.io/pybindingcurve/)
        
        A quickstart example for simulation of protein-ligand binding is as follows:
        
        ```
        import numpy as np
        import pybindingcurve as pbc
        my_system = pbc.BindingCurve("1:1")
        system_parameters = {"p": np.linspace(0, 20), "l": 10, "kdpl": 1}
        my_system.add_curve(system_parameters)
        my_system.show_plot()
        ```
        
        # Authors
        PyBindingCurve was written by Steven Shave 
        ![email](https://raw.githubusercontent.com/stevenshave/pybindingcurve/master/email-address-image.gif)
        
        
        Please get in contact for custom solutions, integration to existing workflows and training.
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Description-Content-Type: text/markdown
