Installation

Please follow these instructions when downloading and installing Optimal Probes.

## Dependencies

Please ensure the following dependencies are met before using Optimal Probes.

Python 2.7.11

~ $ python -V
Python 2.7.11 :: Anaconda 4.0.0 (64-bit)

MSMBuilder 3.4.0

~ $ ipython
In [1]: import msmbuilder.version
In [2]: msmbuilder.version.full_version
Out[2]: '3.4.0'

MDTraj 1.7.2

~ $ ipython
In [1]: import mdtraj
In [2]: mdtraj.version.full_version
Out[2]: '1.7.2'

Osprey 1.0.0.dev0

~ $ osprey --version
osprey 1.0.0.dev0

Other versions of the softwares may also be compatible with Optimal Probes but have not been tested by the developers.

## Install Optimal Probes Once you have made sure that the above software are correctly installed, download Optimal Probes from the source as below.

~ $ git clone https://github.com/ShuklaGroup/optimalProbes.git
Cloning into 'optimalProbes'...
remote: Counting objects: 3, done.
remote: Total 3 (delta 0), reused 0 (delta 0), pack-reused 0
Unpacking objects: 100% (3/3), done.
Checking connectivity... done.

This will create a folder named optimalProbes in your current working directory.

## Check Installation To ensure that you have setup correctly:

~ $ cd optimalProbes
~ $ source diagnosticRun
Welcome to Optimal Probes!
Please wait as we check the installation ...

Optimal Probes version 1.0
MSMBuilder version: 3.4.0
MDTraj version: 1.7.2
osprey 1.0.0.dev0

To check the Optimal Probes Software version number:

~ $ cd optimalProbes
~ $ source diagnosticRun -version
Optimal Probes version 1.0