Hi Gianluca,
Unfortunately, Pymol offers no such functionality intrinsically. But
this is where python comes in handy. Attached you find a script I
wrote for the purpose. It allows you to shift objects or selections
over the periodic lattice:
run lattice.py
create ObjectCopy,MyObject
shift
Hi Jim,
Hmmm. I think your best option is to color the surface according to
the atoms and write the surface in povray format. This will give you
all the vertices. Just another thought springing to mind, you could
cycle over the atoms using a script, writing away only the part of the
surface
Hi,
I would like to examine the approximate volume of different residues in a
protein. To do this, I would like to add a centroid for each residue, and
visualise the volume by using different sphere-sizes.
Is there a built-in function to find center of mass for a selection of atoms?
The center
Hi Siv,
below is a python script (I sent earlier to the mailing list) that
calculates the Center of mass for a given selection
and creates a CGO sphere there. It is is not 100% exact as it only
weighs C-Alpha atoms.
This is exactly how pymol centers selections: when you run the script,
the
