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

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@CA setattr a occupancy 0.123 #0:13.B@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