seedmeopenmm contains a stated data reporter that connects post Openmm simulation results to SeedMe

## Project description

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SeedMe OpenMM
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.. image:: https://img.shields.io/travis/sqamara/seedmeopenmm.svg
:target: https://travis-ci.org/sqamara/seedmeopenmm

.. image:: https://img.shields.io/pypi/v/seedmeopenmm.svg
:target: https://pypi.python.org/pypi/seedmeopenmm

SeedMe OpenMM contains a reporter that connects OpOpenMM and SeedMe

Features
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The SeedMeStateDataReporter is an adaptation of the OpenMM StateDataReporter such that it functions in the same way, outputting information about the simulation, but reports the information in the form of tickers in a new collection on SeedMe.

Installation
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Instal OpenMM
conda install -c https://conda.binstar.org/omnia openmm
Perform the SeedMe Command Line setup
https://www.seedme.org/help/use/command-line/get-seedme-client
https://www.seedme.org/help/use/get-apikey

Usage
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The SeedMeStateDataReporter is used in the same way as the StateDataReporter. Create a SeedMeStateDataReporter, then add it to the Simulation's list of reporters. The set of data to write is configurable using boolean flags passed to the constructor. By default the data is written in comma-separated-value (CSV) format, but you can specify a different separator to use.

An example simulation can be found in the examples_ folder.

.. _examples: https://github.com/paesanilab/seedmeopenmm/tree/master/examples

History
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0.1.0 (2015-07-02)
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* First release on PyPI.

## Project details

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