31 08 2007

After about 4 weeks of looking, learning, thinking and writing code, and again looking, learning, thinking and writing code, and again… now I’ve learned Qt enough to find my way. Coming from python world, it was relatively difficult to get accustomed with “new” and “delete” especially when working with raw data! The plotting tool has been more matured. As I said before, I delayed molecular viewer part to the next major release (I hope it to be developed in coming months). Nevertheless, just for my curiosity, I wrote a simple “test” viewer using OpenMOIV and also played a little with BALLView. The results were promising.

Last week, I accidentally found a page in gromacs wiki that listed the gromacs GUIs currently available. There was a program called GmxG listed too. The software is written by Filipe Maia and seems that has not been released yet. I grabbed the code using gromacs cvs and when reviewing the code, I found that what a good GUI is going to be created. It is obvious that Filipe is an experienced programmer, and I hope him to find enough time to complete it (because some parts of code date back to about 2 years ago and about, I think, 60% of work has done, I think his main problem is lack of enough free time!). The GmxG has a molecular viewer using PyMol, an xvg plotter and a statistical analysis section.Because there was no copyright notification in GmxG code, I didn’t use any of it. But the output parser of the code inspired me to write one for my app too, but not for this release. Maybe for version 0.6 .

OK then, enough for now. I am tired now and more tiring days are ahead…!

1:15 AM shanbeh, 10 shahrivar 1386.


Exhausted …

15 08 2007

I have been recently busy with some coding. About 2 weeks ago, while working with GROMACS using my small Gromacs GUI app, I found that it was time to add some new features . I decided to rewrite it all over, but this time in Qt4. Python provides a simplified way to write your code, but I think using C++ with Qt flavor can be a real good alternative.

So the work on new Gromacs GUI version started and it is taking shape slowly. Not perfect yet but satisfying. It has got a simple plot viewer and a built-in console now. I wanted to add a molecular viewer too but I thought there wouldn’t be enough time to implement a good viewer in near future so it would be better to focus on other parts like completion of front-ends for commands. Qt4 is a very good toolkit; not only for GUIs, but also for usual non-GUI applications. It is astonishing!

Now, after 2 weeks, quite tired; but I must say that I enjoyed C++/Qt coding a lot.

Next week the surgery course (of internship stage) will start. OMG… What a busy summer… .

EDIT: I changed my rotation from surgery to psychiatry. The surgery rotation will  start on 22 October.

So It Starts…

20 07 2007

After some searching about blog providers, I finally chose WordPress over others. And so my blogging experience starts… .

Yesterday, I arrived at my room after about 19 hours of hard work (specially at the Sina hospital)… and then I just fainted 🙂 . It was a very busy day and made me quite tired. Some complex cases (including a man with LBBB heart block who presented symptoms of an MI and a man with an old necrotic ulcer on his leg and probably an osteomyelitis under it) was the way that the day started.

I woke up about 6 hours ago. Thanks God. What a refreshing sleep!

28 Mordad 86