Bob and others working on this, I would like to add to the wish list...
Whereas I guess the majority of users are interested in Jmol as a web based applet it is important to note that the standalone package needs to be considered as well. So to be able to have a crystal display in the standalone there will need to be new menus to cope with this that perhaps like weblab viewer allow you to specify how may cells in the x,y,z direction you want to grow the crystal. My other thought is that if you do have an arrangement to allow for crystal growth then I would like to be able to SAVE the information of the expanded dataset. Some programs will allow you to grow the crystal but then when you come to save do so only as the single unit figuring that you have the symmetry operations so you can grow it again. Once you have the full expanded unit cell what about recalculating H-bonds??? and nearest neighbours?? For some displays I did with CHIME many years ago I needed to be able to colour in the difference layers according to HCP or CCP stacking to make it visually easy to spot the arrangement. This required generating say 3*3*3 cells and saving as the larger dataset. The identifying the atoms I was interested in for each layer and being able to colour them differently. So my wish is for an easy answer for generating this info and it seems as though you may have done most of it already??? Thanks Robert ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
