Hello all,
I'm a pymol newbie, and I'm wondering if anyone has
figured out a convenient way to generate symmetry mates of
molecules that are (strictly or otherwise) within a unit
cell.
For example, if I've loaded a unit-cell-sized map called
map1 and a pdb file called hatom.pdb (containing, say,
prospective heavy atoms), intuitively I should be able to
say:
symexp sym=hatom, (map1), 10
to get everything within 10A of the cell boundary, no? Is
there some way of making a unit-cell object, which can be
used in the selection?
One hack is to make every symmetry mate within a parsec
and then cull away those with coordinates outside the
boundaries, but this slow and crude.
thanks,
Manish
+----------------------------------------
Manish Butte, MD PhD
Children's Hospital of Philadelphia and
University of California San Francisco
