Metadata-Version: 2.1
Name: AMPAL
Version: 1.0.1
Summary: A simple framework for representing biomolecular structure.
Home-page: https://github.com/isambard-uob/ampal
Author: Woolfson Group, University of Bristol
Author-email: chris.wood@bristol.ac.uk
License: UNKNOWN
Description: # AMPAL
        A simple, intuitive and Pythonic framework for representing biomolecular structure.
        
        [![CircleCI](https://circleci.com/gh/isambard-uob/ampal/tree/master.svg?style=shield)](https://circleci.com/gh/isambard-uob/ampal/tree/master)
        [![Python Version](https://img.shields.io/badge/python-3.5%2C%203.6-lightgrey.svg)]()
        [![MIT licensed](https://img.shields.io/badge/license-MIT-blue.svg)](https://github.com/isambard-uob/ampal/blob/master/LICENSE)
        
        ## Installation
        
        You can install AMPAL from pip:
        
        `pip install ampal`
        
        Or from source by downloading/cloning this repository, navigating to the folder
        and typing:
        
        `pip install .`
        
        AMPAL uses Cython, so if you're installing from source make sure you have it
        installed.
        
        
        ## Super Quick Start
        
        Load a PDB file into AMPAL:
        
        ```Python
        my_structure = ampal.load_pdb('3qy1.pdb')
        print(my_structure)
        # OUT: <Assembly (3qy1) containing 2 Polypeptides, 449 Ligands>
        ```
        
        Select regions of the structure in an intuitive manner:
        
        ```Python
        my_atom = my_structure['A']['56']['CA']
        print(my_structure['A']['56']['CA'])
        # OUT: <Carbon Atom (CA). Coordinates: (6.102, -4.287, -29.607)>
        ```
        
        Then climb all the way back up the hierachy:
        
        ```Python
        print(my_atom.parent)
        # OUT: <Residue containing 9 Atoms. Residue code: GLU>
        print(my_atom.parent.parent)
        # OUT: <Polypeptide containing 215 Residues. Sequence: DIDTLISNNALW...>
        print(my_atom.parent.parent.parent)
        # OUT: <Assembly (3qy1) containing 2 Polypeptides, 449 Ligands>
        ```
        
        This is just a quick introduction, AMPAL contain tonnes of tools for making
        complex selections and performing analysis. Take a look at the
        [docs](https://isambard-uob.github.io/ampal/) to find out more.
        
Platform: UNKNOWN
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
