at 2.38p EDT on 2003 November 28 Friday Miguel Howard said: > >>Do the 4 characters in the file actually say "FE2+" ? > >> > >> > > we should have a primitive for this and should be able to do something > > like select charge >= 2 > This would be very easy to add > charge should be considered when calculating the radius of the atom as well. for example, Fe2+ should have a different radius than Fe3+.
> > > RasMol 2.7.2.1 handles them according to the molecule parameter. In > > the sequence, they are loaded, they were assigned numbers 1 to 5. You > > address which molecule is used for transformation or rendering by [...] > > This looks like a good extension to the scripting language. > I lost the original part of this discussion - does RasMol use molecule to refer to different models in an NMR structure? I ask because I am not convinced that 'model' and 'molecule' should be interchangeable. if this is what RasMol 2.7 does, maybe someone can try and convince me why - in my mind, one can have multiple 'models' of the same molecule. :-) regards, :tim -- timothy driscoll molvisions - molecular graphics & visualization <http://www.molvisions.com/> usa:north carolina:wake forest ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. Does SourceForge.net help you be more productive? Does it help you create better code? SHARE THE LOVE, and help us help YOU! Click Here: http://sourceforge.net/donate/ _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
