>>I was wondering if there is a way in Jmol to select those hydrogen >>atoms that are bonded to nitrogen atoms. I could do this by >>distance; however, it might be better to say something like "select >>hydrogens connected to nitrogens". =20 >> > > why not by distance? > > select hydrogen and within(2.5,nitrogen) > > (the bond distance is off the top of my head.) > > as I understand it, no matter what layers you add on top, this is what > Jmol would do anyway.
Currently distance is the only way to do it. I think that it would be a good idea to have some types of operators that work based upon connectivity ... but they don't exist yet ... and I haven't given it that much thought. Miguel ------------------------------------------------------- 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_ide95&alloc_id396&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
