Chemistry

Adding Jmol to an Angular Application

By Itay Zandbank / October 10, 2018 /

We recently starting working on an educational website for chemistry students. The site we’re creating  will let users choose a molecule and perform calculations on it. We want to graphically display the selected molecule, and to do this we have decided to use Jmol.  If you’re unfamiliar with Jmol, its worth getting to know.  Originally…

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Jmol and Angular Part 1 – adding Jmol to your project

By Itay Zandbank / October 2, 2018 /

(This is the first in a series of posts about adding Jmol to an Angular web application) Adding Jmol to your Angular project is a bit untraditional. Jmol does not have an npm package. Since Jmol dynamically loads Javascript files based on user actions, creating an npm package for it is not trivial. Importing Jmol…

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A Case Study: Part II – Switching from C++ to Python

By SiteAdmin / July 2, 2018 /

In Part I of this blog series we introduced you to our project CSM: Continuous Symmetry Measure. If you missed it, you can catch up here. Here in Part II, we’ll begin to explain the programming decisions we made, including the rationale behind our decision to switch the coding language from C++ to Python. If you’ve read…

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A case study: CSM, Continuous Symmetry Measure

By SiteAdmin / June 25, 2018 /

Part I – Introduction Several years ago, we were approached by a research lab at The Institute of Chemistry at Hebrew University with a request to help with a project called the Continuous Symmetry Measure (CSM). Like many projects on which we are asked to consult, the code had been written and maintained by a…

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