Hi,
on the fly try this using ALA1 as example (it can be any of your residues):
`grep -v '^#\|^@' rama.xvg | grep ALA1 | awk '{if($2 == 0) print $2}'
| awk -f std.awk
where std.awk contains:
{
x1 += $1
x2 += $1*$1
}
END {
x1 = x1/NR
x2 = x2/NR
sigma = sqrt(x2 - x1*x1)
if (NR
replace with this:
`grep -v '^#\|^@' rama.xvg | grep ALA1 | awk '{print $2}' | awk -f
std.awk
On 27/10/2014 11:04, andrea wrote:
Hi,
on the fly try this using ALA1 as example (it can be any of your
residues):
`grep -v '^#\|^@' rama.xvg | grep ALA1 | awk '{if($2 == 0) print
$2}' | awk
Hey :)
That should use circ.awk:
{
x1 += sin($1)
x2 += cos($1)
}
END {
m = atan2(x1,x2)
print Number of points = NR
print Circular Mean = m
}
Otherwise, the mean of 180 and -180 gives you a 0 angle.
Cheers,
Tsjerk
On Mon, Oct 27, 2014 at 11:11 AM, andrea andrea.spital...@iit.it
Hi I plan to plot the ramachandran plot of all the dihedral angles each of
which is averaged over time-frames of trajectories. But, I find g_rama or g_chi
gives the time profile of ramachandran plot. But, if I want to plot the
time-averaged Phi.Psi angles of all residues, is there any method
