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On Aug 31, 2011, at 4:00 PM, Yuri Pompeu wrote:

After i get my output file from baverage containing the average b-factor and rms by residues,
How can I calculate and display the average (and or mean) B-factors?
Is there a way of calculating it by protein, ligands and solvent separately?

Chimera's Render by Attribute tool can depict atoms by their B-factor or residues by their average B-factor (assuming you have a PDB file with a B-factor column).  It also shows a histogram of the B-factor values.  You can use the Attribute Calculator tool to compute the average B-factor of any part of your structure and write it to a file.

Some links:

Chimera:  www.cgl.ucsf.edu/chimera
Render by Attribute: www.cgl.ucsf.edu/chimera/current/docs/ContributedSoftware/render/render.html
Attribute Calculator: www.cgl.ucsf.edu/chimera/current/docs/ContributedSoftware/calculator/calculator.html
a tutorial focused on coloring by B-factor: www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/bfactor.html

--Eric

                        Eric Pettersen

                        UCSF Computer Graphics Lab

                        http://www.cgl.ucsf.edu