• RE: Welcome to this forum. Please introduce yourself.

    I guess that it falls to me for the first introduction.


    I'm Stewart, and I work at the CCDC, where I lead the Life Sciences software development team. Collectively, we are responsible for bringing you various products, including the CSD Python API.


    My background is in protein modelling and cheminformatics, although I've worked for most of the past decade as a scientific software engineer. The CSD Python API excites me because it opens up many of the CSD-based technologies. Until now these were only available in our desktop tools. With the API you can choose how to apply these technologies to solve your own problems rather than being able to apply them only how we thought you wanted.


    I can hardly wait to see what amazing things everyone builds, and what scientific challenges they overcome, with our API!

  • Welcome to this forum. Please introduce yourself.


    Welcome to the CSD Python API forum. We hope that this will grow into a valuable resource for anyone looking at our Python API..

    We would like this to become a friendly, welcoming and encouraging forum. It should be a place where anyone can come to share their Python API stories - both success and failures. Anyone with problems to solve, or recommendations to give, should feel comfortable posting here. Hopefully, this can become a source of inspiration and a hub of innovation.

    I invite you to introduce yourself in this thread.  Who are you? What do you work on? What problems will the CSD Python API let you solve?

  • RE: Python for beginners

    My recommendation is the PyCharm Educational Edition.

    PyCharm is an integrated development environment used by some software developers at the CCDC. You can think of it as a Python-aware text editor with various useful features like one-click execution of your Python scripts. It is a free download, and that particular version comes with a built-in tutorial that teaches the most basic parts of the Python syntax.

    It is used in schools, so is quite simple and intuitive.

    Once you've been through that, I think that the best way to learn is to do! Just pick a simple task (make a list of all entries containing caffeine, say) and write a script to do it. If you get stuck, please don't hesitate in posting questions on this forum or on a Python-specific forum such as http://www.python-forum.org/