GSoC: Molecular Animation in Kalzium

Tuesday, April 22. 2008

I am very pleased to be able to announce that Naomi Fox's application for a Google Summer of Code (TM) was successful. Some of you may remember that I participated last year as a student and was also lucky enough to attend aKademy. This year I am no longer a student but I am very pleased to be able to participate as a mentor and hopefully pass on some of what I learned last year.

I hope you will all join me in welcoming Naomi to our development community. As I moved to the US last year we are actually in the same timezone which will make mentoring easier. It does mean getting to aKademy will be a lot more difficult but may be I can attend the first KDE Americas event. I am really looking forward to working with Naomi over the summer and I think this is a really important set of features still missing in Kalzium.

Looking forward to a great summer, my first in Pittsburgh and my first time as a mentor.

Posted by Marcus D. Hanwell in Avogadro, Chemistry, GSoC, KDE at 12:26 | Comments (5) | Trackbacks (0)

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Hi, I'm a spaniard PhD student in CMU, Pittsburgh. Although I use KDE every day, I never contributed (well, not coding, but I tried to help organizers in Akademy 2005 in M?laga). I tend to think lack of time is my excuse ... I'll try to change the situation when I finish the PhD (hope soon)

I'm missing C++ programming (too much matlab now)

It's nice to hear about KDE programmers around here. Are you in the University of Pittsburgh? I have good chemist student friends there

And yeah.. hope it's a great summer... I had enough winter!

Cheers!

#1 Anonymous on 2008-04-22 14:00 (Reply)

We are in Eberly Hall behind the big Chevron Science Center building (I sometimes walk through there). We have lots of Macs around but I use my laptop with KDE 4 trunk and Gentoo Linux on it

You are certainly welcome to call over, I sometimes go over to Craig Street for lunch too.

#1.1 Marcus D. Hanwell on 2008-04-23 14:16 (Reply)

Sounds like a neat project! I often use VMD for that...

Only other major missing feature for proteins in Avogadro, last I checked, is that it can't draw secondary-structure cartoons. There's some OSS code around that can do the detection, I can give you more info if you're interested.

#2 Donnie Berkholz (Homepage) on 2008-04-22 18:30 (Reply)

Avogadro can draw some secondary structure, I spent quite a bit of time working on the ribbon engine. It is certainly not complete though and will only work when loading PDBs that already contain the information.

We would certainly be interested but as Geoff hinted - we don't have any developers right now that are active in the biosciences and so our support is certainly weaker than it could be. I would love to see that improve but right now am spending most of my time improving our support for visualising output from quantum codes...

#2.1 Marcus D. Hanwell on 2008-04-23 14:19 (Reply)

@anonymous: Yes, we're here at Pitt in the chemistry department. Stop by and say hello sometime. I'm sure we can find some ways for you to catch up with C++ and KDE if you miss it.

@Donnie

Please send any suggestions and/or pointers for proteins to avogadro-devel @ lists.sourceforge.net. We'd definitely be glad to get it. We're more of the materials chemistry / computational chemistry side.

#3 Geoff Hutchison (Homepage) on 2008-04-23 10:06 (Reply)

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