Chemical structure editor

Posted on October 7, 2009

Thanks to a contest held by Metamolecular I started to think about what I believe are the most important functions for a chemical structure editor. (I use their product ChemWriter in a project of mine that hopefully will be available for public beta testing in a few months.)
Anyway, my main cirteria is ease of use! I like the editor to have simple keyboard shortcuts that are intuitive so that I remember them.
The first runners up is the looks, the editor should produce nice looking structures, preferably with the option to make custom labels that keep their chemical interpretation.

New updates to w2w!

Posted on April 15, 2008

I have now updated the public version of w2w to fix the problem with cUrl error no 5. The new version, 0.98, also includes automatic update checks and can be found here.

I have also made a new beta that shows some progress information during the upload process. If you are interested in trying that version (and are not already in the beta-program) please let me know in a comment or email.

Sail in the Archipelago of Stockholm

Posted on January 31, 2008

I have just finished the makings of a web site for my father-in-law. He and a friend will take on passengers to go sailing in the archipelago of Stockholm this summer. If you are interested, please see the site (only in Swedish and German...)

Beta-testers wanted

Posted on September 5, 2007

I have made a new version of w2w that should solve the cURL error #5. Before I release it I would like to have it tested, so if you have seen the problem and would like to help me, please let me know in the comments or in an email.

/Fredrik

Snac 0.95

Posted on May 4, 2007

I have updated Snac to version 0.95 with a small bugfix. The default settings for the width option was accidently put to -y instead of -x, leading to some strange behaviours if not noticed by the user.

Thanks to Andreas Mohr for pointing this out to me.

w2w version 0.95

Posted on November 3, 2006

I have updated w2w to resolve a bug that occured when used on a directory with many files in it (such as an actual website... :-) ).

Many thanks to Reborg for his help with debugging!

macosxhints

Posted on October 6, 2006

Today, I got two hints into the macosxhints site. Both make use of launchd to start programs at specific occasions. One restarts a crashed program and the other offers an ability to print from Classic without installing a printer in the Classic-environment.

The important thing is that launchd is a great tool in OSX Tiger and it gets even better through Lingon, a graphical interface to launchd created by Peter Borg (who also happens to be the creator of my favorite text-editor, Smultron).

SpotSmart - Substructure search on your Mac

Posted on September 25, 2006

I have made a perl-script to enhance the excellent ChemSpotlight with substructure searching. The script in itself translates the output from mdfind into a valid smiles-file that could be searched using obgrep.

Update: A new version of the script solves an issue with long SMILES
More...

More substructure searches

Posted on September 19, 2006

I have been using a customised version of the Lab Notebook from Macs In Chemistry as my labbook for several years now. I have however never really liked the substructure search in it. I don't want to first create a database and then search. When I'm looking for somehting I'm looking for it now... Besides, the fact that it uses ChemFinder that's still only available for Classic makes it even less attractive.

I have lately discovered the beauty of Open Babel and I figured that it's substructure search program obgrep should be possible to use to search in the Lab Notebook.
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