> OK, I'll start a user thread on that to get ideas of needs. My feeling > is that it all has to be done at file load time, > unless you want to implement some sort of atom addition/removal > mechanism. (I'm guessing you do NOT want to do that!)
I think that we probably could handle adding atoms. removing them would be a disaster. One way that I thought of handling it was to take a unit cell and grow it into a crystal by creating a new model on the fly. I think that we could handle that. > The basic idea > would be - indicate at file load all the cells you want; later you can > display or not. Yes, I think that the mechanism is to control display of the atoms ... even if they are already there. > One thing that comes to mind is a new sort of > "connected()" selection option -- something like "chain" but for general > molecules -- that would select all atoms "in the same molecule" as some > particular atom set. > But I don't know how to pass information to a file reader that specifies > HOW to read the file (and generate the multiple unit cells). One might > naively say "do that later" but the maleic.cif file shows that to be > impossible -- all atoms must be in place prior to the next model > reading, so the application of multiple unit cells must be PRIOR to > action in Frame. At least that is what I conclude. I did not understand much of this. Please try to clarify for me. Miguel ------------------------------------------------------- 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&kid0709&bid&3057&dat1642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
