jChemPaint - editor and viewer for 2D chemical structures

[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:

[greengeek]

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

[CatDude]

Hello greengeek

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

The link for the .pet is still working.

catDude
.

[greengeek]

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.

[CatDude]

Hello again

.....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
.

[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

[CatDude]

Here you go

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

• jChemPaint_3.0.2.sfs
  jChemPaint_3.0.2.sfs.md5.txt
  md5sum = d526350ab07d97b113ba004bf4c33742

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

CatDude
.

[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

[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

Greetings!

[night_mare007]

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.