[Jmol-users] state, *.jmol and user defined variables and functions

2010-12-18 Thread Alexander Rose
Hi, I like the .jmol file which contain everything to display a model and added data in a certain state. It is a quick and easy way to share some findings in a model with colleagues. And it is obviously more powerful then an image because it allows manipulation with all of Jmol's powers. Howeve

Re: [Jmol-users] Another Resolver Thought

2010-12-18 Thread Otis Rothenberger
Bob, One last thought on this chain. As you can see, I've developed a bit of interest in connecting Jmol to outside data other than sdf data using Resolver to translate as needed. I've focused on three databases for a variety of reasons: 1) NIST WebBook IR/MS data - Uses InChI query - Limited