molsKetch 0.2.0 (Helium) Alpha

molsKetch is a molecular drawing tool.
molsKetch is a molecular drawing tool.

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.

Main features:

  • 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

last updated on:
September 26th, 2008, 10:33 GMT
license type:
GPL (GNU General Public License) 
developed by:
Harm van Eersel
ROOT \ Science and Engineering \ Chemistry
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