On Tuesday 04 November 2003 14:55, Sebastian Lisken wrote: > > It looks like proper CML1... (and it is valid according to the CML1 DTD) > > So, it should work, but it is not... bonds are not read, so Jmol thinks > > the file does not have bonds... this is a bug in the CMLReader... > > It's adapted from some CML that the old version of the applet > did read, and now I seem to remember that I had to add reading > bonds to the CMLReader myself. I seem to have mislaid the > sources for that, unfortunately, but as I had to make up my > own bonds structure and Jmol now does have its own (all from > vague memory), this shouldn't be too great a loss.
I think the main problem is that the files don't define bond orders... I don't think the CML IO can deal with that situation... I see if I can fix that. BTW, the file could better use CML2 format, which solves a number of problems with the CML1 format... Egon -- [EMAIL PROTECTED] PhD on Molecular Representation in Chemometrics Nijmegen University http://www.cac.sci.kun.nl/people/egonw/ GPG: 1024D/D6336BA6 ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. Does SourceForge.net help you be more productive? Does it help you create better code? SHARE THE LOVE, and help us help YOU! Click Here: http://sourceforge.net/donate/ _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
