3qf6 is an example of a fully deuterated protein model. (There are 56 entries in the PDB containing deuterium. You find them by Advanced Search, Chemical Components, Chemical Formula, and entering "D*". This was implemented by RCSB after I requested some way to do this. They point out that this method does not exclude elements without coordinates. Thus H* finds all entries since all contain hydrogen, even though many have no hydrogen atoms with coordinates.)
In 3qf6, selecting "hydrogen" selects the deuterium, while selecting "deuterium" selects zero atoms. I think it may be better to have "deuterium" select the element D and "hydrogen" select the element H. Discussion? On the other hand, I like that selecting "water" selects DOD or HOH. But probably "DOD" should not select HOH (I think this is currently the case), and HOH should not select "DOD" (but it currently does select DOD in 3qf6). -Eric ------------------------------------------------------------------------------ Got Input? Slashdot Needs You. Take our quick survey online. Come on, we don't ask for help often. Plus, you'll get a chance to win $100 to spend on ThinkGeek. http://p.sf.net/sfu/slashdot-survey _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
