Advanced

Basic Chemistry on the GNOME Desktop

Posted by tuxchick on · 3 comments
Linux Journal; By Joey Bernard 		Mail this story
Print this story

I've realized I've missed out on a huge area of computational science—chemistry. Many packages exist for doing chemistry on your desktop. This article looks at a general tool called avogadro. It can do computations of energy and gradient values. Additionally, it can do analysis of molecular systems, interface to GAMESS and import and export from and to several file formats. There also are lots of options for generating pretty pictures of your totally new molecule that you hope will revolutionize the chemical industry.

Full Story

  Nav
» Read more about: Story Type: News Story; Groups: GNOME, Linux

» Get new stories by e-mail: nightly or as they are published

« Return to the newswire homepage

  Related stories
» More like this

Comments (3)

Khamul ·
Quoting:There also are lots of options for generating pretty pictures of your totally new molecule that you hope will revolutionize the chemical industry.


They need to remove these options so they can "reduce confusion" among users.
djohnston ·
Quoting: They need to remove these options so they can "reduce confusion" among users.


You forgot your sarcasm tags. ;-)
helios ·
They need to remove these options so they can "reduce confusion" among users.

"I don't care who you are, that's funny right there"

Post a comment

A free account is needed to post. Write your comment here first: your text is kept in this browser while you sign up or log in, and is waiting for you when you come back.

Your message:
|||||
10
Markdown: **bold**, *italic*, [text](https://link), - lists, > quotes, $x^2$ for math. Formatting help

Sign up and post (it is free)  or  Log in and post