[Chimera-users] Modification of b-factor and occupancy

[Tom Goddard]

Tsutomu Matsui wrote:
> Hi Tom,
>
> Is it possible to change b-factor or occupancy of selected atoms, and 
> then output the coordinates including those changes?
>
> Tsutomu
>

Hi Tsutomu,

  Here are Chimera commands to set bfactor and occupancy of an atom 
(model #0, residue 13, chain B, atom CA) and write out the PDB:

setattr a bfactor 12.3 #0:13.B at CA
setattr a occupancy 0.123 #0:13.B at CA
write 0 /tmp/test.pdb

If you really mean you want change the "selected" atoms use a command like:

    setattr a bfactor 12.3 sel

See the setattr and write documentation for more details.

    http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/setattr.html
    http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/write.html

  Tom