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Topic: Chemistry software engineering in Java  (Read 16906 times)

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Offline mir

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Chemistry software engineering in Java
« on: May 31, 2008, 07:33:08 AM »
I have a lot of ideas! But it will take a lot of time to finish them alone, and I guess someone out there is thinking the same. I know some programming in Basic and Java (I know how to use Eclipse and Subversion. I am also into using JUnit 3-tests.). How about we create a group of chemists with the sole purpose to make small programs to help chemists out there? I am thinking freeware by now until we have established procedures and routines.

Who's with me?
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Offline Borek

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Re: Chemistry software engineering in Java
« Reply #1 on: May 31, 2008, 11:36:26 AM »
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Offline mir

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Re: Chemistry software engineering in Java
« Reply #2 on: May 31, 2008, 01:38:36 PM »
No-no-no-no! If you want it done properly, do it yourself!  ::)

Chembuddy is taking care av the stochiometry, and thats fine. But I am thinking seriously about chemometrics and taking care of large collections of data. And I have some ideas regarding programs in spectrometry.
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No single thing abides, but all things flow.
Fragment to fragment clings, and thus they grow
Until we know and name them.
Then by degrees they change and are no more
The things we know.
- Titus Lucretius Carus

http://www.ife.no

Offline Borek

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Re: Chemistry software engineering in Java
« Reply #3 on: May 31, 2008, 02:49:57 PM »
Quote from: mir on May 31, 2008, 01:38:36 PM
If you want it done properly, do it yourself!  ::)

That's what I did :)

Quote
Chembuddy is taking care av the stochiometry, and thats fine.

+solutions +concentrations +buffers +pH

Quote
But I am thinking seriously about chemometrics and taking care of large collections of data.

I think there are statistical programs (some open source) that will deal with these things. Could be it is better to invest your time into making these tools better, than to start new ones from scratch?

That's not to discurage you, but most of the separate projects die sooner or later, many of them never getting mature. Time down the drain.
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Offline Mitch

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Re: Chemistry software engineering in Java
« Reply #4 on: May 31, 2008, 03:15:02 PM »
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Offline mir

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Re: Chemistry software engineering in Java
« Reply #5 on: June 02, 2008, 12:57:24 PM »
Quote from: Borek on May 31, 2008, 02:49:57 PM
That's what I did :)

You made chembuddy?
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No single thing abides, but all things flow.
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Then by degrees they change and are no more
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Offline enahs

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Re: Chemistry software engineering in Java
« Reply #6 on: June 02, 2008, 03:28:08 PM »
Speaking off. I guess you could update your .sig to include the buffer maker!
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Offline Borek

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Re: Chemistry software engineering in Java
« Reply #7 on: June 02, 2008, 03:36:24 PM »
Quote from: enahs on June 02, 2008, 03:28:08 PM
Speaking off. I guess you could update your .sig to include the buffer maker!

Just removed it yesterday, to test some SEO hypothesis :)
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Offline Borek

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Re: Chemistry software engineering in Java
« Reply #8 on: June 02, 2008, 03:37:07 PM »
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Offline Mitch

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Re: Chemistry software engineering in Java
« Reply #9 on: June 02, 2008, 04:29:52 PM »
I am the Sith you have been looking for.
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Most Common Suggestions I Make on the Forums.
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2. Don't confuse thermodynamic stability with chemical reactivity.
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Offline mir

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Re: Chemistry software engineering in Java
« Reply #10 on: June 07, 2008, 12:30:39 PM »
Quote from: Borek on June 02, 2008, 03:37:07 PM
I AM ChemBuddy ;)

Cool! :-)
Care for some assistants?
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No single thing abides, but all things flow.
Fragment to fragment clings, and thus they grow
Until we know and name them.
Then by degrees they change and are no more
The things we know.
- Titus Lucretius Carus

http://www.ife.no

Offline Borek

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Re: Chemistry software engineering in Java
« Reply #11 on: June 07, 2008, 07:27:54 PM »
I don't need help right now. Sometimes I need beta testers. Any remarks on my pograms are always welcomed.
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