Striving for greatness

Thoughts on emerging tech, open source, and life

[Gentoo] WebMO, cool chemistry webapp

Yesterday I added WebMO to the tree. Here’s a few screenshots so you can see how it looks (Click for a bigger version.).

I don’t think the webapp-config hook script works properly, so you may need to fix all the paths in globals.int that point to /usr/share. globals.int is at /var/www/localhost/cgi-bin/webmo/interfaces/globals.int on a standard installation. The correct paths:

cgiBase="/var/www/localhost/cgi-bin/webmo"
htmlBase="/var/www/localhost/htdocs/webmo"
userBase="/var/www/localhost/webmo"

Also, I don’t think reinstallations work properly yet. They may overwrite your configuration from old installations. That’s why it’s in package.mask.

To log in for the first time, visit ${HOST}/cgi-bin/webmo/login.cgi. Username admin, blank password.

job manager
Here’s the “home screen.” It shows info on all the jobs you’ve run, and you can selectively view certain jobs.

job viewer
You can actually rotate the molecule, see vibrational modes, and so forth in the viewer. Also if you’ve calculated a spectrum, you can pop up a picture of it.

job options
This is where you select the type of job you want to run. Some of the programs have much more complex sets of options than Tinker.

Advertisements

Written by Donnie Berkholz

December 4, 2005 at 12:50 pm

Posted in Uncategorized

%d bloggers like this: