> What should/does Jmol do when getting different files? At present I think > it does the following: > - if xFract is present, sue those coordinates and draw the unite cell > - else if x3 draw a 3D molecule > - else if 2D draw a 2d "rotatable" molecule.
I don't recall exactly but ... I don't think there are many 2D formats that are supported. I believe that 2D .mol files are supported ... only because the Z-coordinate is always 0.00 Probably 2d .cml files too ... but I don't actually remember. > The latter should not happen. 2D molecules are flat by definition and are > not 3D objects. Rotating them is actually very dangerous as people think > they are real 3D objects. OK > Ideally I think that Jmol should provide separate 3D and 2D windows, I agree. > the latter perhaps based on a "Jchempaint applet". > Egon and we will be meeting soon and can discuss this. OK > At present I am using Marvin for input and > display of 2D structures though I would obviously prefer Jchempaint > because we can develop an event model, etc. 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. If others agree, I think it may be a good idea to put some 2D viewing into Jmol ... Jmol is for viewing molecules and it would be nice to support the display of 2D molecular model files. (Certainly there would be no editing ... as in JChemPaint) >From my perspective, if we were to do this it would need to wait at least a few more months. Miguel ------------------------------------------------------- This SF.net email is sponsored by: IT Product Guide on ITManagersJournal Use IT products in your business? Tell us what you think of them. Give us Your Opinions, Get Free ThinkGeek Gift Certificates! Click to find out more http://productguide.itmanagersjournal.com/guidepromo.tmpl _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
