From: Daniel C. <dan...@gm...> - 2011-07-22 13:50:50
|
Hello everybody, I am trying to do the following: I am labeling the C alpha atom of a protein residue including the temperature factor value this way with no problem: select @{"{" + res + ".ca}"} var catom = {selected} catom[1].label = "residue - %n_%c_%r - Bfactor: %b" But now I would like to do the same (label the C alpha), but instead of using the temperature factor of the C alpha, using the lowest temperature factor in any of the residue atoms; something like: select @{"{" + res + ".ca}"} var catom = {selected} select @{"{" + res + "}"} var residue = {selected} foreach atom in residue{ take the temperature factor and include it in an array } sort the array take the first value of the array catom[1].label = "residue - %n_%c_%r - Bfactor: first value of the array" I feel like it should be so simple, but I just cannot get it with Jmol scripting... Thanks a lot. Daniel |