As Tsjerk pointed out, there was a mistake in the code. Just for the
record this is the right function:
pdb2entry = { "1ONE": "1ONE_A", "2ONE": "2ONE_A" }
# a function to measure Ca distances of oposite pairs of superimpossed
chains (the proteins must have the same aa composition)
def check_fo
Well practically speaking the opposite superimpositions are not
performed in the same fashion. Lets take 1ONE and 2ONE as an example,
2 different conformations of the same molecule. Since the aa
composition is identical (at least from what I've seen the chains have
the same length), I meas
Hi Thomas,
Say, the first system is x and the second y, where y=R(x+s) is the
first transformation. Then the reverse transformation follows as
y = R(x + s)
y = Rx + Rs
Rx = y - Rs
x = t(R)(y-Rs)
Note that that is also equal to: x = t(R)y - s
Hope it helps,
Tsjerk
On Mon, Nov 9, 2009 at
Dear pymol users,
I noticed something strange when superimposing 2 opposite pairs of
chains. E.g.
DEBUG: template 1BQG_A query 2MUC_A
Query Transformation:
X2 = +0.86747*(X1+2.29751) + -0.49574*(Y1+60.99794) +
-0.04181*(Z1+64.71239)
Y2 = -0.49701*(X1+2.29751) + -0.85983*
