Hello Pshemak! "if" structures are not hard, at least if you have some experience e.g. with Javascript. But for your problem you don't need that; the "connect" command will set the bond type based on distance, very easily, for all frames at a time.
> Let's say I have some "boundary" conditions (in angstroms, totally arbitrary > for the purpose of this > example): > C-O 1.44 and less is "single", more than 1.44 but less than 1.55 is > partial, > and more than 1.55 is no bond > C-Br 1.92 and less is single, more than 1.92 but less than 2.07 is > partial and > more than 2.07 is no bond select all; connect (_C) (_O) delete; connect 1.441 1.55 (_C) (_O) partial; connect 1.44 (_C) (_O) single; connect (_C) (_Br) delete; connect 1.921 2.07 (_C) (_Br) partial; connect 1.92 (_C) (_Br) single; I am not sure about wether the given limits will be taken as "less than" or "less or equal than". ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
