Peter Murray-Rust wrote:
I would prefer not to have to develop a 2D renderer independently of Jchempaint but there is currently a fairly urgent need as CML is now starting to spread in a number of places where this is required.
The CDK 2D renderer currently used in JChemPaint can be very easily used in other applications (see our MyNMRShiftDB stand-alone client and our recently developed ASPECT spectrum viewer).
Does this cover applets as well?
Admittedly, JCP is still far away from being as good as the marvin applets.
It's quite close to what I want for display.
Egon and I know that there is an urgent need for a rewrite of the renderer, since the current design is not allowing many thing, including encapsulation of single draw procedures into actions in order to provide redo/undo capabilities.
Peter: Besides this, would we be able to create a list of shortcomings which need to be removed in order to make JCP usable for you?
My priorities in order are:
- display only
- dumb applet - simply draws what it is given (must scale). Needs to draw wedge and hatch
- as above but user can select options - hydrogens on/off, atom Ids, labels, isotopes, charges
input - single molecule equivalent to JME
and only later the fancy stuff including layout, and the other things.
We are currently starting to deploy a lot of 3D+2D stuff. A simple JCPapplet would be great and would be simpler technically and legally to distribute than Marvin. It would be a pity if it appeared that we were promoting Marvin over JCP
And we have to make sure that Jmol does NOT display 2D molecules
In haste, and offline. See Egon in 2 weeks
P.
Cheers,
Chris
-- Dr. habil. Christoph Steinbeck ([EMAIL PROTECTED]) Head of the Junior Research Group for Applied Bioinformatics Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de) Z�lpicher Str. 47, 50674 Cologne Tel: +49(0)221-470-7426 Fax: +49 (0) 221-470-7786
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Peter Murray-Rust Unilever Centre for Molecular Informatics Chemistry Department, Cambridge University Lensfield Road, CAMBRIDGE, CB2 1EW, UK Tel: +44-1223-763069
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