Egon wrote: >> There is some support for unit cell display in v10 ... perhaps not as >> much >> as v9. Please tell me what things you want. > > The support in v10 matches that off v9... Display of unit cell is not > turned on by default, however... > > Miguel, would it be difficult to have one of the openFile() methods > conditionally run a script, e.g. 'set unitcell on' when the file contains > a crystal? > I'm thinking here about detecting wether unit cell parameters are > set, and if so, run the above script... possible?
Hmmm ... let me think about whether or not we can have something like that as a user preference setting. The problem is that almost all .pdb files have crystal cell data, but for pdb files we don't want the crystal cell displayed by default. > (Similarly, if a file contains frames, it could start the script 'frame 1; > anim on'...) The problem with this one is that we cannot distinguish between multiple frames and multiple models. For examples, each of the frequency models in a gaussian file is actually a different frame. And .pdb files can contain multiple models too. Usually it is multiple conformations of the same structure, but sometimes it is an animation. So, we don't know how to distinguish between multiple models and multiple frames of an animation. Perhaps we can give users a 'startup script' that is run automatically each time they load a file. The problem is that the scripting language has no conditionals, so there is no way to selectively apply scripts based upon characteristics of the molecular model. Miguel ------------------------------------------------------- SF.Net email is sponsored by Shop4tech.com-Lowest price on Blank Media 100pk Sonic DVD-R 4x for only $29 -100pk Sonic DVD+R for only $33 Save 50% off Retail on Ink & Toner - Free Shipping and Free Gift. http://www.shop4tech.com/z/Inkjet_Cartridges/9_108_r285 _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
