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Introduction:

  • Chemistry Service
  • Web: Bootstrap + Django + Piston
  • Client: WPF
  • Calculate Service: some specific software, dragon, mopac etc.

Requirements:

  • Django 1.4 +
  • lbforum
  • django-debug-toolbar
  • django-tinymce

Installation:

  • web tools:

  • sudo pip install -r requirements.txt

  • hg clone https://bitbucket.org/jespern/django-piston # Piston, a RESTFul API

    • sudo python django-piston/setup.py build
    • sudo python django-piston/setup.py install
  • Mysql:

  • create database Chemistry CHARACTER SET utf8;

  • python manage.py syncdb

  • python manage.py migrate

  • python manage.py syncdb

  • Calculated software

  • sudo apt-get install python-openbabel -y

  • some other software should be installed manually

  • sudo apt-get install ia32-libs -y #32-bit lib for 64-bit machine

  • Install Redis

  • wget http://redis.googlecode.com/files/redis-2.6.12.tar.gz

  • tar -zxvf redis-2.6.12.tar.gz

  • make && make test

  • sudo make install

  • python manage.py runserver IP:PORT

  • go web browser, visit: IP:PORT

License

GPLv3, see LICENSE file test

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Chemistry Tools web service in Django

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