SketchEl

About

SketchEl is an interactive chemical molecule sketching tool, designed for quick and simple entry of structures. The feature set is limited to those necessary to enter a single chemical species, in a form that might be used in a cheminformatic database, representing each atom and bond as a part of a labelled graph.

The intended audience is scientists who routinely need to draw chemical species as input data for a variety of software packages, and are not necessarily attempting to prepare an annotated presentation or reaction scheme, but rather wish to represent a particular molecule in an informatically complete way... in a hurry, and on their platform of choice. SketchEl is written in Java and works equivalently on all major platforms. Structures can be passed back and forth between other applications using the clipboard or files, and favours the popular MDL MOL-file format for exporting data. The project is open source and may be used freely under the terms of the GNU GPL.

Appearance

Status

Feature-complete. Version 1.00 has all of the features intended for the initial objectives of the project. Further refinements and bug fixes are expected, and new subject material may be added at a later date.

Features

Overview:

  • Easy to use interactive tools for placing atoms and bonds.

  • Tools are multipurposed in order to provide convenient access to necessary drawing modes, and to operate with either fine-control or generally reasonable assumptions.

  • Automatic or manual control over creation, calculation and rendering of hydrogen atoms.

  • Built-in structure templates.

  • Aesthetically pleasant output, using anti-aliased rendering and arbitrary size scaling.

  • Reads and writes industry standard MDL MOL files, as well as its own format.

  • Can read MDL SD-files and present in catalog mode, allowing individual structures to be copied to a new editor window (but not edited in place).

  • Platform independent and open source; uses Java 1.5, Swing with no further dependencies, and licensed under the GPL.

Download

http://sourceforge.net/projects/sketchel

Applet Demo

Click here to try an applet version of SketchEl.

Author

Alex Clark

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