On Nov 5, 2007, at 12:24 PM, Hernando Sosa wrote:

Hi,
I have a couple of questions:

Is there a simple way to determine the angle between any of the three
axes, X,Y or Z and the line connecting two selected atoms?. I know you
can use the Angles/Torsions tools to determine the angle formed between
3 sets of atoms, but I wonder if you could use that tool, or some
other, to report the angle of two atoms with the axes?.

Hi Hernando,

Perhaps you could explain in more detail what you want to determine here. AFAIK, there is no unique angle between non-intersecting lines in 3-space.

Is it possible to draw a box with the axes around a structure as it can
be done with a volume ?.

There is no command or GUI for it, but in Python pretty much anything is possible. I've appended a Python script that will draw axis-aligned bounding boxes of currently selected molecules (or all molecule models if none are selected). Just open it with File...Open or the "open" command.

--Eric

Eric Pettersen

UCSF Computer Graphics Lab

http://www.cgl.ucsf.edu