Peter wrote: > Thanks. We have been analysing our MOPAC calculations and displaying the > results in Jmol. [snip] > ***What we would like to do is use a set of given bonds rather than have > Jmol calculate its own.***
Jmol will always use the bond information if it is provided. I am not familiar with MOPAC and do not understand which file format you are using to load the molecular models into Jmol. > This is demonstrated in: > http://wwmm.ch.cam.ac.uk/download/mopac/nci_proteus/nsc5220_view.html > where the input molecule is truly horrible and MOPAC rescues it. I am not in a position to view these URLs at this time. > The input > bonds are given and we would like to show them, not the join-the-dots > result. If Jmol does this, what is the switch, else can it be easily > fixed? Jmol only calculates bond information if no bonds are given (However, .pdb files have some special rules). Tell me which file format you are using. Work with me on this and we will get it fixed. Miguel ------------------------------------------------------- This SF.net email is sponsored by: The Robotic Monkeys at ThinkGeek For a limited time only, get FREE Ground shipping on all orders of $35 or more. Hurry up and shop folks, this offer expires April 30th! http://www.thinkgeek.com/freeshipping/?cpg=12297 _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
