As a chemist: Did you found this program useful as replacement to any WINDOWS/MAC based softwares ? |
YES |
|
100% |
[ 4 ] |
NO |
|
0% |
[ 0 ] |
|
Total Votes : 4 |
|
Author |
Message |
night_mare007
Joined: 07 Aug 2011 Posts: 30
|
Posted: 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:
|
Back to top
|
|
 |
greengeek

Joined: 20 Jul 2010 Posts: 4942 Location: Republic of Novo Zelande
|
Posted: Mon 02 Apr 2012, 05:31 Post subject:
|
|
.
Looks like the download link has expired. Any chance of reposting? thx
|
Back to top
|
|
 |
CatDude

Joined: 03 Jan 2007 Posts: 1570 Location: UK
|
Posted: 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
.
_________________

|
Back to top
|
|
 |
greengeek

Joined: 20 Jul 2010 Posts: 4942 Location: Republic of Novo Zelande
|
Posted: 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.
|
Back to top
|
|
 |
CatDude

Joined: 03 Jan 2007 Posts: 1570 Location: UK
|
Posted: 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
Maybe you could rebuild it as an .sfs file, or if you like i could do it for you (just give the word)
CatDude
.
_________________

|
Back to top
|
|
 |
666philb

Joined: 07 Feb 2010 Posts: 3171 Location: wales
|
Posted: 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
_________________ Tahrpup, built with trusty tahr packages http://murga-linux.com/puppy/viewtopic.php?t=96178
Xenialpup64, built with xenial xerus packages http://murga-linux.com/puppy/viewtopic.php?t=107331
|
Back to top
|
|
 |
CatDude

Joined: 03 Jan 2007 Posts: 1570 Location: UK
|
Posted: 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
.
_________________

|
Back to top
|
|
 |
greengeek

Joined: 20 Jul 2010 Posts: 4942 Location: Republic of Novo Zelande
|
Posted: 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
|
Back to top
|
|
 |
SFR

Joined: 26 Oct 2011 Posts: 1655
|
Posted: 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
Greetings!
_________________ [O]bdurate [R]ules [D]estroy [E]nthusiastic [R]ebels => [C]reative [H]umans [A]lways [O]pen [S]ource
Omnia mea mecum porto.
|
Back to top
|
|
 |
night_mare007
Joined: 07 Aug 2011 Posts: 30
|
Posted: Thu 03 May 2012, 12:30 Post subject:
|
|
Glad to see that you ppl continue the work that I made...
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.
Sorry about the weird extraction path - I ain't a pro in puppy packaging.
Keep on the good work - only with free access to knowledge this world can become a better place for all of us.
|
Back to top
|
|
 |
|