Hi Guys,
I'd like to superpose two inorganic complexes using two differently
"ordered" atom sets. My compound has quite similar substructures but I
am sure at all what is the best "ordered" selection of atom pairs to
align. Therefore, I'd like to make a "extensive" search (with an
heuristic approach to define...) passing by the idle. I am unfortunately
missing something before getting to this point!
Lets say that I just want to align the nitrogen atoms of the my two
structures. I have:
import chimera
import numpy
from chimera import match
from chimera import runCommand
runCommand("select #1@N=")
an1=chimera.selection.currentAtoms()
runCommand("select #0@N=)
an2=chimera.selection.currentAtoms()
chimera.match.matchAtoms(an1,an2)
And then it's when I am already stuck!
the resulting prompt does not provide mistake an gives:
chimera.match.matchAtoms(an1,an2)
(<_chimera.Xform object at 0x9463ef8>, 0.034256915079603358)
But how this results can be send to the graphical window? I guess I have
to use the Xform object, but I can not clearly understand how to do
this.
Thanks for any help!
JD