Am 30.09.15 um 21:14 schrieb Luciano Abriata: > Dear all, > > How can I change the B-factor of an atom in a loaded PDB, by another > number coming from calculations inside my program? > > (I want this so as to color-code data on the structure using color > RELATIVETEMPERATURE) > The B-factor is stored in the atom property 'temperature'. This property can be changed like in the following examples for atom number 1 (see the Jmol scripting documentation "http://jena3d.fli-leibniz.de/doc/jmol_scripting/index.htm?ver=14.2#atomproperties" for details:
# Example 1 newTemperature = 0.5; {atomno=1}.temperature = newTemperature; # Example 2 newTemperature = 0.6; {@1}.temperature = newTemperature; Regards, Rolf ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users