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 Forum index » Advanced Topics » Additional Software (PETs, n' stuff) » Engineering/Science/Simulation
jChemPaint - editor and viewer for 2D chemical structures
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As a chemist: Did you found this program useful as replacement to any WINDOWS/MAC based softwares ?
YES
100%
 100%  [ 4 ]
NO
0%
 0%  [ 0 ]
Total Votes : 4

Author Message
night_mare007

Joined: 07 Aug 2011
Posts: 30
PostPosted: Sat 20 Aug 2011, 16:44    Post subject:  jChemPaint - editor and viewer for 2D chemical structures
Subject description: Latest stable version 3.0.2 ( from 2010-10-19 )		  
Hi,
jChemPaint is an editor and viewer for 2D chemical structures
It's at version 3.0.2 - the most recent stable version available.

To run it you must have "Java Virtual Machine" installed.
( I use "java_jre-6u22-Lucid-sfs4.sfs" on my lupu 5.25 )

Program features:
    - Drawing and deletion of single, double, triple and stereo bonds.
    - Ring templates (3-8 atoms) with one-click attachment.
    - An extensive template library.
    - Colouring of atom types, and other rendering settings.
    - Editing of atomic charges, isotopes and hydrogen count.
    - Loading and saving of structures in Chemical Markup Language (CML) and as MDL MOL files and SDF files (loading only).
    - Automated Structure Layout, also known as Structure Diagram Generation.
    - Loading structures from the Internet using CAS or NSC number.
    - Normalization of structures, currently limited to aromaticity detection.
    - Saving bitmap pictures of the structures.
    - Saving structures as graphics (PNG, BMP, Scalable Vector Graphics (SVG)).
    - Postscript printing


Download:
.SFS file
.Pet file

ScreenShot:
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greengeek

Joined: 20 Jul 2010
Posts: 2407
Location: New Zealand
PostPosted: Mon 02 Apr 2012, 05:31    Post subject:  
.
Looks like the download link has expired. Any chance of reposting? thx
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CatDude


Joined: 03 Jan 2007
Posts: 1450
Location: UK
PostPosted: Mon 02 Apr 2012, 05:44    Post subject:  
Hello greengeek

greengeek wrote:
Looks like the download link has expired. Any chance of reposting? thx

The link for the .pet is still working.

catDude
.
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greengeek

Joined: 20 Jul 2010
Posts: 2407
Location: New Zealand
PostPosted: Mon 02 Apr 2012, 06:35    Post subject:  
CatDude wrote:
The link for the .pet is still working.
.


Thanks. I avoided it 'cos I've had some bad experiences lately with installing pets for the wrong version of puppy - I thought sfs might be safer. But I will give the pet a go. thx.
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CatDude


Joined: 03 Jan 2007
Posts: 1450
Location: UK
PostPosted: Mon 02 Apr 2012, 07:03    Post subject:  
Hello again

greengeek wrote:
.....I thought sfs might be safer. But I will give the pet a go. thx.



You might want to reconsider using it as a .pet,
as i just opened it up to take a look inside it and this is how it unpacked:
/mnt/sda8/Others/mnt/+mnt+home+MACPUP_Warez+TOP_ROOT+jChemPaint_3.0.2EXPORT.sfs Shocked

Maybe you could rebuild it as an .sfs file, or if you like i could do it for you (just give the word)

CatDude
.
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666philb


Joined: 07 Feb 2010
Posts: 1634
Location: wales
PostPosted: Mon 02 Apr 2012, 07:04    Post subject:  
easy way to make the .pet into an sfs

1 install right click options http://www.murga-linux.com/puppy/viewtopic.php?t=67013
2 right click on the .pet and choose extract here
3 right click on the extracted folder and choose make sfs

done

edit....hmmmm we posted at the same time...... listen to catdude Smile
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CatDude


Joined: 03 Jan 2007
Posts: 1450
Location: UK
PostPosted: Mon 02 Apr 2012, 07:25    Post subject:  
Here you go

You can grab the .sfs (converted .pet) here:


Don't forget that it requires you have java installed.

CatDude
.
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greengeek

Joined: 20 Jul 2010
Posts: 2407
Location: New Zealand
PostPosted: Mon 02 Apr 2012, 14:14    Post subject:  
.
Thanks! I did actually install the pet, but it said there is no menu entry so I haven't been able to find how to run it. That Warez thingy looks bad. What have I done to my system.... Aaarghhh!

I will uninstall the pet and grab your sfs.

thx
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SFR


Joined: 26 Oct 2011
Posts: 1044
PostPosted: Mon 02 Apr 2012, 16:42    Post subject:  
I just wondering is there a need to play with .pet or .sfs in this case?
Inside there's practically only one, portable .jar file that can be launched with:
Code:
java -jar jchempaint-3.0.2.jar

from terminal window.
Or just righ-click -> Set Run Action -> java -jar "$@"
and can be launched via left-click...

BTW, here's more recent version, already as pure .jar:
http://sourceforge.net/projects/cdk/files/JChemPaint/3.2.0/

Quote:
That Warez thingy looks bad. What have I done to my system.... Aaarghhh!

Don't worry, it's LGPL Cool

Greetings!
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night_mare007

Joined: 07 Aug 2011
Posts: 30
PostPosted: Thu 03 May 2012, 12:30    Post subject:  
Glad to see that you ppl continue the work that I made... Very Happy

I'm now in my 2nd semester of my 1st year in bechlor in chemistry.
I know i'll this this app the next semester when i'll start to learn organic chemistry. Wink

Sorry about the weird extraction path - I ain't a pro in puppy packaging. Cool

Keep on the good work - only with free access to knowledge this world can become a better place for all of us. Cool
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