Pat, > Is it possible to extend the capabilities of the Jmol applet to read > shelx97 files as the version 5 application can? > It looks like the Jmol-applet.jar has the ShelxReader.class in it! We plan to release Jmol version 6 within the next few weeks. One of the goals of this release is to support more file formats.
I have not been working on file formats, so I am not sure. But unless there is some great obstacle, support for this file format will be in this release. I will check with one of the crystalography people to confirm. > > How about the various measurement capabilities? Well, the measurement capabilities *will* be in the next release of the applet, but they may not be that easy to get to. For this release we have put in rather broad support for RasMol/Chime scripting. Thus, from a script you can create a measurement between atoms (the RasMol scripting language uses the term "monitor"). However, for this release we do *not* plan to have user-interface gestures which would allow a user to apply measurements interactively with the mouse. This will need to wait for the next release. > And it would be nice if > the measurements could take into account the uncertainties in the > atomic co-ordinates (this info is available in the shelx file) so Jmol > could calculate the uncertainties in the geometrical parameters. I am not a chemist, let along a crystalographer, so I am not sure I understand the problem/question. Is it the case that you want: distance 1.523 +/- .05 angstroms angle 45 +/- 4 degrees ? > This > would be very valuable to chrystallographers like myself especially if > it were available in the Jmol applet and users of facilities like mine > could do those calculations over the web!! Part of our goal is to make the applet more robust. As we add functionality we want to enhance both the application and the applet. > > > Thanks, > Pat Carroll > �Adi�s! Miguel ------------------------------------------------------- This SF.NET email is sponsored by: SourceForge Enterprise Edition + IBM + LinuxWorld = Something 2 See! http://www.vasoftware.com _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
