Rene wrote: > On an aside I wonder whether it is possible to create an input file > that has bonds between atoms that are part of different models. I don't > see a reason to do that, but I also think it should not be possible...
It is not possible to create bonds between atoms that are in different models. Each model is supposed to be in its own world. The auto-bonding code will not allow it. If, by some accident, a bond were created between atoms in two different models then I am sure that some things would break. In PDB files the atoms are identified by numbers. In some (all?) pdb files the atom numbering does not restart when a new model begins. Bonds can be declared in PDB files using CONECT records. CONECT records refer to atom numbers. Therefore, it is possible to have a CONECT record that created a bond that spanned two different models. This would be a *BAD* thing. If (at some point in the future) it happens then we should modify the PdbReader (or the frame building code) to prevent it from happening. I did not try it. Miguel ------------------------------------------------------- The SF.Net email is sponsored by: Beat the post-holiday blues Get a FREE limited edition SourceForge.net t-shirt from ThinkGeek. It's fun and FREE -- well, almost....http://www.thinkgeek.com/sfshirt _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
