Bob Hanson wrote: > great. Rolf, am I right that > > select 40-43 > > should select ALL ranges of that sort within a chain -- because some > older PDB files have the waters in with the protein all as one chain, so > there is a duplicate set of numbers within a chain? > > I was thinking yesterday that maybe we should select only the first set, > because generally one expects protein when you select a range of > residues, and that the selection of waters was actually a bug. > > But then I realized if we did that it would be impossible to select a > range of water molecules, so I changed it to iterate over the chain, > finding all ranges, not just the first. > > What do you think? >
Yes, I agree that all matching ranges should be selected. I think it should be the responsibility of the user to restrict this any further. It is for example similar to the situation where you have a protein chain and a DNA chain. If you just use "select 1-5" the residues from both chains should be selected. If you want to select only protein you have to add the chain identifier or use "select 1-5 AND protein". Regards, Rolf ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Don't miss this year's exciting event. There's still time to save $100. Use priority code J8TL2D2. http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
