Hi Oliver, The more direct way I tried used Attribute Calculator (in menu under Tools.. Structure Analysis) to calculate attribute "bfactor" for "atoms" using the formula: residue.ramaProb (after assignment using Ramachandran). It currently generates an error, which seems buglike. I could create a new atom attribute with that formula, but not overwrite "bfactor". We'll look into that . Best, Elaine On Aug 26, 2014, at 10:17 AM, Oliver Clarke <olibclarke@gmail.com> wrote:
Thanks to both Elaine and Mark for the quick replies!
Elaine, that works very well, thank you. Would it be possible in some future version to have an option to replace the b-factor column with a custom attribute directly (or via a command), to make this process quicker and avoid having to write out, edit and read in the attribute file?
I find this handy for highlighting particular problem regions in coot or other programs that can color by b-factor (I could envision doing the same thing for the overlap attribute of find clashes, or some sort of rotamer probability attribute, for example).
Cheers, Oliver.