> Maybe "calculated" was not the right word here. Calculated in the sense > that > they are drawn in different positions, between different atoms. > "sidechain" > means directly between the O and the N, for instance, in a peptide. > "backbone" > means between the alpha carbons. Since the lines are actually in different > locations, I thought a new calculation was required.
OK. In that sense there is some additional work involved, but it is already done. > To me that's not > quite the > same as only a change in rendering. It requires a more sophisticated > analysis (I > thought.) Anyway, that's what I meant. There are currently global settings for 'sidechain vs. backbone' for hbonds and ssbonds. But the flags are 'global' in the sense that they apply to all instances of hbonds or ssbonds, respectively. Tim would like to have this setting be bond-specific ... so I need to see if there is someplace within the existing bond datastructures to scrounge up a bit to use for a flag. I think that there may be room in the 'bond order', but I chewed up a lot of that when working on the various hbond types (for 'color hbond type' ?) Miguel ------------------------------------------------------- This SF.Net email is sponsored by: NEC IT Guy Games. Get your fingers limbered up and give it your best shot. 4 great events, 4 opportunities to win big! Highest score wins.NEC IT Guy Games. Play to win an NEC 61 plasma display. Visit http://www.necitguy.com/?r _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
