Installation and setup

Prerequisites

Details on how to install each package is provided in Installation of prerequisite packages.

Installation

Use ConfigurePath.py to configure paths. Paths only need to be set before the first run if no changes to the paths. After the script starts, instructions will be given for setting paths.

  1. The first path is for eMolFrag scripts. The absolute path to the scripts folder is needed.
  2. The second path is for pkcombu. The absolute path to pkcombu to be used is needed.

 

[TestEMolFrag]$ python /.../ConfigurePath.py # run Configure path, use absolute path

[TestEMolFrag]$ /.../eMolFrag_2016_07_23_01/ #assuming that path to eMolFrag.py is /.../eMolFrag_2016_07_23_01/eMolFrag.py

[TestEMolFrag]$ /.../pkcombu #assuming that path to pkcombu is /.../pkcombu

 

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