To the PyMOLers out there. This isn't particularly exciting news, but if you use my color_b.py and data2bfactor.py scripts, you may be interested in the update versions that I've just put on my web site.
There is now a function in data2bfactor.py that loads data into the occupancy column, rather than the B-factor column in case you wish to color on either. So of course I had to add a new function called color_q in color_b.py for coloring on occupancy (known as "q" in PyMOL). I've also added to the color_b and color_q functions the option to manually enter the lower, or upper limits (or both) of the data used to determine colouring ranges, e.g. color_q my_protein, q0=3.5, q1=7.0 Anything with the q value less than q0 + the bin width will be coloured by the first colour in the gradient and anything above the q1 - the bin width will be coloured in the last colour in the gradient. You can see the bins used as they are printed to the terminal window. This really only works with mode=hist, since mode=ramp determines the limits of the colouring bins by putting equal numbers of atoms in each. Cheers, Rob -- Robert L. Campbell, Ph.D. <r...@post.queensu.ca> Senior Research Associate phone: 613-533-6821 Dept. of Biochemistry, Queen's University, fax: 613-533-2497 Kingston, ON K7L 3N6 Canada http://adelie.biochem.queensu.ca/~rlc PGP Fingerprint: 9B49 3D3F A489 05DC B35C 8E33 F238 A8F5 F635 C0E2
