If you have a copy of MOLEMAN2 lying around, you can use the XYz DIstort
command to do exactly this: http://xray.bmc.uu.se/usf/moleman2_man.html#S77
--Gerard
On Mon, 12 Mar 2018, Franck Coste wrote:
Hi all,
I'd like to apply an improper rotation matrix to PDB files but it seems it's
not al
I am struggling to see why one would want to apply an improper rotation, which
I thought was defined as rotation plus reflection. Det=-1. Truly bad things
happen to ones amino acids.
Unless you had the coordinates from a small mol in one chiral arrangement, and
wanted it in the other? But in t
Assuming you have a good reason for this, you can apply any arbitrary
transform fairly straightforwardly in ChimeraX. In the console
(Tools/General/Shell), and assuming your model is the only one loaded:
m = session.models.list()[0]
import numpy
transform_matrix = numpy.array([[r11, r12, r13, t
Maybe you could turn your distorting matrix into into a fake symmetry
operator?
On 12 March 2018 at 10:24, Phil Evans wrote:
> The command ROTATE in pdbset should allow to apply any valid rotation
> matrix, ie determinant = +1.0
>
> Anything else will distort the coordinates
>
>
> > On 12 Mar
The command ROTATE in pdbset should allow to apply any valid rotation matrix,
ie determinant = +1.0
Anything else will distort the coordinates
> On 12 Mar 2018, at 10:13, Franck Coste wrote:
>
> Hi all,
>
> I'd like to apply an improper rotation matrix to PDB files but it seems it's
> not a
Hi all,
I'd like to apply an improper rotation matrix to PDB files but it seems
it's not allowed in pdbset. Does anyone know a program where I could do
this ?
Thanks in advance.
Regards,
Franck.
--
