Hello, Francois > However I can´t find the way to get the data back from jmol as a > molfile.
This was commented a couple of days ago. Only for MOL format, you can use getProperty extractModel (atom expression) (see http://chemapps.stolaf.edu/jmol/docs/) For any format, there's also getProperty fileContents > I found how to get the data that was set, but if it is > rotated for example, the atom coordinates will have changed. No. The coordinates do not change as a consequence of model rotation and translation. > I think it may be something like jmolGetPropertyAsString There's probably also a way to do it with that, but the above two ones are simpler. ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users