Thanks Angel, I have missed that in the manual, that is much simpler.
PM On 8/14/2014 6:35 AM, Angel Herráez wrote: > 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 > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
