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. SketchEl represents 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
Here are some key features of "SketchEl":
· Easy to use interactive tools for placing atoms and bonds.
· Tools are multi-purposed 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).
Requirements:
· Java 1.5 or later
What's New in This Release: [ read full changelog ]
· Fixed a MOL file bug pertaining to atom charges