Chris wrote: > To get the nitrogens too you can do > > select hydrogen and within(1.15,nitrogen) or nitrogen and > within(1.15,hydrogen) > > I gave it a try and it seems to work. Is there a better way? Probably. > I am fairly new at this.
It works ... but I think you would be better off saying: select (nitrogen or hydrogen) and within(1.15, nitrogen); I think it is a little cleaner ... and the within operator is a little more expensive to calculate. 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
