Hi all, Peter MR recently emailed about his CML files which look like:
<list> <molecule id="m1"/> <molecule id="m2"/> </list> The molecules would all be placed in on ChemFrame (=AtomContainer)... I thought that I could easily solve this in CDKs CMLReader, but the problem was not really there, but in Jmol itself... Then I realized a reader in Jmol cannot open up a second Jmol window... that is, not with an easy patch that could go into the b6 branch... The problem: at this moment the Jmol Readers take a DisplayControl only, and no reference to Jmol itself... it can thus not call a specific Jmol method... But, it could use the approach used in the NewwinAction... However, problem 2: the Reader cannot open up a second window just like that... that would break it for use in the applet... which cannot open up a second window... The solution: The reader should detect in some way that it may open up a second window or not, or in other words, if it is used by an application or an applet... But I am not sure I want to fix this like this... in HEAD the IO is going to be moved to CDK, and CDK does it differently... the Reader then just returns a ChemObject of a certain class (well not really, but it should...) The application *or* applet can then decide what to do with the content... Why is this important: the <list> example is one reason why it is important... (is basically is equivalent with the SDF file problem) A second important reason is this: many optimization programs store both the optimization run in the output file *as well as* the input structure... such content is now shown as one animation leading to very strange behavior going from the first to the second frame... Ok, that's about it... Conclusion: Peter, I am sorry that I won't be able to fix your problem in the next release... but it will be fixed, at least with the new IO in CDK... Egon ------------------------------------------------------- This SF.NET email is sponsored by: eBay Great deals on office technology -- on eBay now! Click here: http://adfarm.mediaplex.com/ad/ck/711-11697-6916-5 _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
