Hi, I have xyz files (only atoms coordinates and bonds definition) containing : - one or more protein molecules - a lot of of other molecules (solvant like water, CHCl3, CO(NH2)2, ...) It's for the Jmol fah page : http://www.jmol.org/fah
I would like to be able to select the other molecules to hide them. I don't think it is possible with the current version of Jmol (if I am wrong, that would be great). One constraint: I don't want to modify the xyz files, they must stay as they are. I was thinking of adding this functionality to the script language, something like : "select structure <molecule_identification>" Of course, I would code this modification myself ;) <molecule_identification> could be : - a predefined name (water, h2o, hoh, ...) - a description of the molecule structure describing atoms and bonds of the molecule So my questions : 1. Would it be a good idea to add such a functionality ? 2. Someone has a suggestion on a format for the description of the molecule structure ? Nicolas ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_id=6595&alloc_id=14396&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
