My opinion of the patch is that it is difficient in a number of areas, and is not ready to go into Jmol.
1. Crystal properties don't warrant a menu of their own. Rather than having Crystal/Properties, it should be Extras/Crystal properties... 2. The menu item is activated regardless of whether crystal information is read from the file. If caffeine.xyz is read, the crystal properties are active with defaults that are certianly not going to be related to a crystal structure of caffeine. In addition, the molecule explodes if the Commit changes... button is clicked. 3. Like most of the dialogs in Jmol, it overuses the TitledBorder. Granted the same design is used throughout Jmol, but better design should be used for new dialogs. 4. Why is the total number of frames listed in the crystal properties? What does that have to do with crystals properties? 5. Values entered into the dialog box are not checked for validity. Incorrect values cause exceptions to be thrown. 6. The crystal properties dialog does not update if a molecule is read while it is open. 7. The space group information is missing. These are just the first impressions obtained from using the new code. I have not looked at the implementation itself. Personally, I don't understand the information presented in the crystal properties. The information is different than that generally used with protein crystallography, which uses cell dimensions (a, b, c) and angles (alpha, beta, gamma), and the space group. Bradley ----- Original Message ----- From: "E.L. Willighagen" <[EMAIL PROTECTED]> To: "Fabian Dortu" <[EMAIL PROTECTED]>; <[EMAIL PROTECTED]> Sent: Monday, September 02, 2002 6:08 AM Subject: Re: [Jmol-developers] Abinit reader and crystals > On Monday 02 September 2002 14:31, E.L. Willighagen wrote: > > On Monday 02 September 2002 16:16, Fabian Dortu wrote: > > > The files are not given in attachement because it is too big > > > (size must no exceed 40kb in this mailing list) so I put it in > > > the patches section of Sourceforge. > > > > Acknoledged. I am now trying to merge your changes with a local > > copy of Jmol in CVS... > > Done that. Works without any problems. > > The patch does not view the cell axis, does it? > Fabian, what are your futher plans? > > Bradley, what is your opinion on this patch? There was did patch about > crystal in the past (for Jmol 1.1) but never got included... I've never had > time to port that patch to current CVS... Should Jmol be able to view crystal > structures? > > Egon > > > ------------------------------------------------------- > This sf.net email is sponsored by: OSDN - Tired of that same old > cell phone? Get a new here for FREE! > https://www.inphonic.com/r.asp?r=sourceforge1&refcode1=vs3390 > _______________________________________________ > Jmol-developers mailing list > [EMAIL PROTECTED] > https://lists.sourceforge.net/lists/listinfo/jmol-developers > ------------------------------------------------------- This sf.net email is sponsored by: OSDN - Tired of that same old cell phone? Get a new here for FREE! https://www.inphonic.com/r.asp?r=sourceforge1&refcode1=vs3390 _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
