Metadata-Version: 1.1
Name: pytim
Version: 0.5.3
Summary: Python Tool for Interfacial Molecules Analysis
Home-page: https://github.com/Marcello-Sega/pytim
Author: Marcello Sega, Balazs Fabian, Gyorgy Hantal, Pal Jedlovszky
Author-email: marcello.sega@univie.ac.at
License: GPLv3
Description: A Python Tool for Interfacial Molecules Analysis
        ================================================
        
        Pytim is a cross-platform python implementation of several methods
        for the detection of fluid interfaces in molecular simulations: it
        allows to identify interfacial molecules from the trajectories of
        major molecular dynamics simulation packages, and run some analyses
        specifically conceived for interfacial molecules, such as intrinsic
        profiles.
        
        So far the following methods have been implemented:
        
        * ITIM
        * GITIM 
        * Willard Chandler
        * Chacon Tarazona
        * DBSCAN filtering
        
        ----
        
        Pytim relies on the MDAnalysis package for reading/writing trajectories,
        and work therefore seamlessly for a number of popular trajectory
        formats, including:
        
        * GROMACS
        * CHARMM/NAMD
        * LAMMPS
        * AMBER
        * DL_Poly
        
        
        
Keywords: molecular simuations analysis
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 2.7
