-
 KDE-Apps.org Applications for the KDE-Desktop 
 GTK-Apps.org Applications using the GTK Toolkit 
 GnomeFiles.org Applications for GNOME 
 MeeGo-Central.org Applications for MeeGo 
 CLI-Apps.org Command Line Applications 
 Qt-Apps.org Free Qt Applications 
 Qt-Prop.org Proprietary Qt Applications 
 Maemo-Apps.org Applications for the Maemo Plattform 
 Java-Apps.org Free Java Applications 
 eyeOS-Apps.org Free eyeOS Applications 
 Wine-Apps.org Wine Applications 
 Server-Apps.org Server Applications 
 apps.ownCloud.com ownCloud Applications 
--
-
 KDE-Look.org Artwork for the KDE-Desktop 
 GNOME-Look.org Artwork for the GNOME-Desktop 
 Xfce-Look.org Artwork for the Xfce-Desktop 
 Box-Look.org Artwork for your Windowmanager 
 E17-Stuff.org Artwork for Enlightenment 
 Beryl-Themes.org Artwork for the Beryl Windowmanager 
 Compiz-Themes.org Artwork for the Compiz Windowmanager 
 EDE-Look.org Themes for your EDE Desktop 
--
-
 Debian-Art.org Stuff for Debian 
 Gentoo-Art.org Artwork for Gentoo Linux 
 SUSE-Art.org Artwork for openSUSE 
 Ubuntu-Art.org Artwork for Ubuntu 
 Kubuntu-Art.org Artwork for Kubuntu 
 LinuxMint-Art.org Artwork for Linux Mint 
 Arch-Stuff.org Art And Stuff for Arch Linux 
 Frugalware-Art.org Themes for Frugalware 
 Fedora-Art.org Artwork for Fedora Linux 
 Mandriva-Art.org Artwork for Mandriva Linux 
--
-
 KDE-Files.org Files for KDE Applications 
 OpenTemplate.org Documents for OpenOffice.org
 GIMPStuff.org Files for GIMP
 InkscapeStuff.org Files for Inkscape
 ScribusStuff.org Files for Scribus
 BlenderStuff.org Textures and Objects for Blender
 VLC-Addons.org Themes and Extensions for VLC
--
-
 KDE-Help.org Support for your KDE Desktop 
 GNOME-Help.org Support for your GNOME Desktop 
 Xfce-Help.org Support for your Xfce Desktop 
--
openDesktop.orgopenDesktop.org:   Applications   Artwork   Linux Distributions   Documents    LinuxDaily.com    Linux42.org    OpenSkillz.com   
 
Apps
News
Groups
Knowledge
Events
Forum
People
Jobs
Register
Login


Sponsoring


-
- Content .- Fans  .- Knowledge Base  . 

molsKetch

   Helium alpha  

KDE Scientific

Score 85%
molsKetch
zoom


molsKetch
zoom


Link:  Link
Depends on  Qt 4.x
Downloads:  2275
Submitted:  Mar 18 2007
Updated:  Sep 26 2008

Description:

molsKetch is a program for drawing molecular structures, in the spirit of Chemsketch and xdrawchem, for all platforms supported by Qt 4. As for now it supports drawing a basic carbon skeleton, adding hetero atoms and charge and different types of bonds. The resulting structure can be exported to all formats supported by the OpenBabel library and can also be exported as SVG or bitmap. For a full overview of the features see below.

This application is the result of a project for school (as well as my first Qt application). The goal of the project was to design a proof-of-concept tool for drawing molecular structures quick and easily, without sacrificing the quality of the resulting images. There is still much room for improvement, but it should be quite useful already. So you're free to give it a try.

Some of the features of molsKetch:
  • creating regular and consistent bonds easily with tools as a dynamic grid and magnetic atoms

  • open, save and import in all formats supported by the OpenBabel(tm) library

  • export to Scalable Vector Graphics (SVG) and a number of common used bitmap formats

  • print and export your document to PDF

  • realign atoms automatically

  • intelligent addition/removal of hydrogen atoms

  • real time information about the molecule, like charge and weight

  • built-in library for quick access to regularly used molecules and functional groups



  • Changelog:

    20080926

    Helium alpha
  • fixed crash when trying to remove nonexisting custom molecule

  • file extension are now added on saving

  • added option to add/remove single implicit hydrogens

  • added 2D rotating

  • rudimentary support for 3D rotation

  • improved periodic table

  • improved settings dialog

  • save position of dock widgets

  • remember last accessed path

  • support for i18n

  • fixed bug on loading/saving CML files

  • added a panel to the toolbox to directly change the draw options

  • support for changing the font of the atom symbols

  • support for changing the bond width

  • added an autosave feature

  • there is now an initial version of a KPart of the molsKetch drawing widget available


  • Deuterium
  • added support for OpenBabel under Windows

  • switched to cmake as build system

  • you can now use left click to delete items in the document

  • loaded/imported files are now splitted in separate molecules

  • made hinting less intrusive

  • made charge changes undoable

  • made scrolling on the document zoom to the cursor position (thanks to Vladimir Zima for the suggestion)

  • made the element selector look like a periodic table (thanks to Carsten Niehaus for the suggestion)

  • updated the element data

  • added bug report menu entry

  • updated some of the shortcuts

  • clean up of the code and added apidox (thanks to Carsten Niehaus)

  • fixed some crashes on closing/opening a new document

  • lots of other fixes


  • Hydrogen
  • Initial release

  • Disabled load/save in the Windows release for now, due to problems with linking OpenBabel



  • LicenseGPL
    Source(Helium alpha)
    Debian(Debian Sid (Deuterium))
    MS Windows(Windows (Deuterium))
    Mac OS X(Intel Macs)
    Send to a friend
    Subscribe
    Other  Apps  from sciurus
    Report inappropriate content



    -

     Looks promising

     
     by ijon45 on: Apr 6 2007
     
    Score 50%

    I like the nice drawing and that circle tool to choose angle between bonds. Three suggestions.

    -The program should have the ability to use drawing settings from most popular chemical journals, otherwise it would be nearly useless. This is a really important thing and ANY free software chemical drawing program implements it.

    -3D molecules should be handled with tracball rotation. Look at the way bkchem does it.

    -It could be possible to strip the drawing code into a library ? It would be great for KDE4-edu chemical stuff.


    Reply to this

    -

     Re: Looks promising

     
     by sciurus on: Apr 7 2007
     
    Score 50%

    Thanks for the suggestions.

    3D rotating and different drawing styles are planned for Helium or Lithium.

    I think extracting the drawing code in the current state is a little difficult, but I'll keep it in mind. It would be a waste if only molsKetch could use it...


    Harm
    Reply to this

    -

     This is nice

     
     by ideefixe on: Apr 23 2007
     
    Score 50%

    Thank you for the program! you are doing a nice job!


    Reply to this

    -

     the best chem sketch

     
     by stoehr on: Sep 25 2007
     
    Score 50%

    This is the best chem sketch drawing program I've used!

    OK here and there are a few missing features but this program is new. And for the second release it is very stable and usable.


    Reply to this

    Add commentBack






    -
    -
    Do you like or dislike Ubuntu Unity?
     Yes, unity is alien technology!
     It is less confusing than Gnome 3 default, shell.
     Granny thinks it is much more usable than Gnome 2
     Canonical is embarrasing itself with this split project
     Gnome 3 default shell is much better
     I dislike Unity, Gnome 3 default shell is alien technology!
     None of the above, I like the 2Gb for free and Apple alike behavior. Will post a comment instead

    resultmore
     
     
     Who we are
    Contact
    More about us
    Frequently Asked Questions
    Register
    Twitter
    Blog
    Explore
    Apps
    Jobs
    Knowledge
    Events
    People
    Updates on identi.ca
    Updates on Twitter
    Facebook App
    Content RSS   
    Events RSS   

    Participate
    Groups
    Forum
    Add App
    Public API
    About KDE-Apps.org
    Legal Notice
    Spreadshirt Shop
    CafePress Shop
    Advertising
    Sponsor us
    Report Abuse
     

    Copyright 2003-2014 KDE-Apps.org Team  
    All rights reserved. KDE-Apps.org is not liable for any content or goods on this site.
    All contributors are responsible for the lawfulness of their uploads.
    KDE and K Desktop Environment are trademarks of KDE e.V.