This is a Javascript version of a molecular browser for XML/CML files. It runs on "any XML-aware browser"
which at present is MSIE5 or 6. It dynamically converts cml2svg
and for this reason also requires an SVG plugin such
as Adobe's.
It is destined as an open-source tool for displaying and
managing molecular information especially for individual
scientists or those collaborating in open programs. Future
developments may include data and molecule entry.
The components of the system are:
- The XML-CML engine in Javascript (display.js and
individual *.html files)
- A large number of molecules in CML. These have been
converted from other formats and this process is not yet
validated. There will be many different styles of molecule
and JUMBO3 is intended to make the best educated guess as to
how to present the information.
The browser is only for display at present, but
interactivity will come later. The main screen has four
components:
- TopLeft: controls to alter the display (scale, etc.).
Mouseover describes each one
- Left: List of molecules. Many have no title other than a
reference number. Each molecule is in a separate *.xml
file.
- Main display. The molecule is drawn here. 2D molecules
(connection tables) are draw if there are coordinates. At
present the automatic layout facility is not implemented in
Javascript and is run offline. 3D molecules are draw as one
of 3 projections (x, y, z). They can be rotated (NOT
interactively) by typing a rotation angle into "3D" box. Note
that 3D molecules have NO depth-related presentation at the
moment and atoms will always overlay bonds. Chirality
(wedge/hatch) is extremely misleading and is dubious in "3d"
coordinates. The test molecules may not always display.
Crystallography is not yet implemented.
- Bottom: annotations. JUMBO3 will pick up titles and
comments in XML files.
Use with care. Not all errors have been trapped (i.e. don't
try scales of zero!). Have fun.
Start JUMBO 3.0-JS