Hi Darrell, As you found, there isn't a command version of Attribute Calculator, sorry! Maybe one of the others can suggest a python solution? Best, Eliane ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Dec 16, 2013, at 11:59 AM, "Hurt, Darrell (NIH/NIAID) [E]" <darrellh@niaid.nih.gov> wrote:
Hi Chimera friends,
I'm trying to calculate convexity as demonstrated in the Attributes tutorial: http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/attributes.html
I can do it with the graphical tools without a problem, but when I try to do it via the command line, I run into trouble. I cannot find any documentation on running the Attributes Calculator on the command line. I've tried using "setattr":
setattr a convexity atom.areaSAS/atom.areaSES
This command generates a new atom attribute called "convexity" for every atom, but the value of this attribute for every atom is literally "atom.areaSAS/atom.areaSES" instead of the calculated value.
Is there a way to calculate a new attribute value on the command line within Chimera? Sorry to be so demanding…
Thanks, Darrell