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
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
