jChemPaint - editor and viewer for 2D chemical structures

Mathematical tools, physics simulators, CAD, CNC, etc.
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As a chemist: Did you found this program useful as replacement to any WINDOWS/MAC based softwares ?

YES
4
100%
NO
0
No votes
 
Total votes: 4

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night_mare007
Posts: 30
Joined: Sun 07 Aug 2011, 17:13

jChemPaint - editor and viewer for 2D chemical structures

#1 Post by night_mare007 »

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:
Image

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greengeek
Posts: 5789
Joined: Tue 20 Jul 2010, 09:34
Location: Republic of Novo Zelande

#2 Post by greengeek »

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

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CatDude
Posts: 1563
Joined: Wed 03 Jan 2007, 17:49
Location: UK

#3 Post by CatDude »

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
.
[img]http://www.smokey01.com/CatDude/.temp/sigs/acer-futile.gif[/img]

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greengeek
Posts: 5789
Joined: Tue 20 Jul 2010, 09:34
Location: Republic of Novo Zelande

#4 Post by greengeek »

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
Posts: 1563
Joined: Wed 03 Jan 2007, 17:49
Location: UK

#5 Post by CatDude »

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 :shock:

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

CatDude
.
[img]http://www.smokey01.com/CatDude/.temp/sigs/acer-futile.gif[/img]

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666philb
Posts: 3615
Joined: Sun 07 Feb 2010, 12:27
Location: wales ... by the sea

#6 Post by 666philb »

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 :)
Bionicpup64 built with bionic beaver packages http://murga-linux.com/puppy/viewtopic.php?t=114311
Xenialpup64, built with xenial xerus packages http://murga-linux.com/puppy/viewtopic.php?t=107331

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CatDude
Posts: 1563
Joined: Wed 03 Jan 2007, 17:49
Location: UK

#7 Post by CatDude »

Here you go

You can grab the .sfs (converted .pet) here: Don't forget that it requires you have java installed.

CatDude
.
[img]http://www.smokey01.com/CatDude/.temp/sigs/acer-futile.gif[/img]

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greengeek
Posts: 5789
Joined: Tue 20 Jul 2010, 09:34
Location: Republic of Novo Zelande

#8 Post by greengeek »

.
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
Posts: 1800
Joined: Wed 26 Oct 2011, 21:52

#9 Post by SFR »

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: Select all

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/fil ... int/3.2.0/
That Warez thingy looks bad. What have I done to my system.... Aaarghhh!
Don't worry, it's LGPL 8)

Greetings!
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night_mare007
Posts: 30
Joined: Sun 07 Aug 2011, 17:13

#10 Post by night_mare007 »

Glad to see that you ppl continue the work that I made... :D

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. 8)

Keep on the good work - only with free access to knowledge this world can become a better place for all of us. 8)

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