Metadata-Version: 2.1
Name: topoly
Version: 0.9.1
Summary: This package provides a set of tools for modeling protein knots, lassos and other.
Home-page: https://topoly.cent.uw.edu.pl/
Author: INTERDISCIPLINARY LABORATORY of BIOLOGICAL SYSTEMS MODELLING, University of Warsaw, Warsaw, Poland
Author-email: jsulkowska@cent.uw.edu.pl
License: UNKNOWN
Description: # Topoly
        
        Topoly is a **Python** package that collects programs useful for 
        **polymer topology** analysis.
        
        What you can do with Topoly?
        ----------------------------------
        
        * Find knots, links, lassos, theta-curves, handcuffs and their type.
        * Calculate knot/link invariants:
        
          * Polynomials: Alexander, Jones, Conway, HOMFLY, Yamada, Kauffman, BLM/Ho,
          * Brackets: Kauffman, APS,
          * Other: writhe, Gaussian linking number.
        
        * Find minimal surface of a loop.
        * Simplify polymer structure preseving its topology.
        * Generate random polygon structures: walks, loops, lassos, handcuffs.
        * Generate knot map (like in KnotProt).
        * Calculate sum (U) and product (#) of knots.
        * Visualize structures.
        
        ## Provided executable programs 
        
        Apart from a Python library, this package provides a set of executable programs:  
        
        1. knotnet - find knots using the Alexander Polynomial
        2. homflylink
        3. surfacesmytraj
        4. ncuclinks
        5. lmpoly
        6. gln - compute the Gaussian linking number
        
        ## Installation
        
        Make sure you have a recent version of **pip**. You can upgrade it by running::
        
        ``pip3 install --upgrade pip``
            
        Install Topoly using the standard python package installer PIP:
        
        ``pip3 install topoly``
        
        Topoly can be installed without administrative privileges in the home folder of a particular user or in a Python
        Virtual Environment.
        In that case all files (binaries, documentation, libraries and python modules) will be installed in:
        
        ``$HOME/.local/``
        
        or ``venv/`` respectively.
        
        If you choose to install Topoly with administrative privileges then everything will be installed in:
        `/usr/local/`
        
        ## Using Topoly
        
        Have a look at our website: https://topoly.cent.uw.edu.pl
        
        or our tutorial project: https://github.com/ilbsm/topoly_tutorial
        
        ## Contact
        
        INTERDISCIPLINARY LABORATORY of BIOLOGICAL SYSTEMS MODELLING, University of Warsaw, Warsaw, Poland
        
        https://jsulkowska.cent.uw.edu.pl/
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: License :: Free for non-commercial use
Classifier: Operating System :: Unix
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Requires-Python: >=3.5.0
Description-Content-Type: text/markdown
