[MMTK] Re: Vector Madness

Dr. Seth Olsen seth.olsen at gmail.com
Tue Sep 19 17:57:12 CEST 2006


Hi MMTKers,

Upon looking into the archives, I think I found the solution: to delete the
Scientific_vector.so file so that the original python code is used.  If I'm
wrong, I'll find out soon enough.

By the way, was the issue with the not-so-good fit via findTransformation()
ever solved?  That function works now for me (as does most everything -
thanks to everyone's help) but I must admit that I've seen better rms fits
from fortran qtrfit codes...

Cheers,

Seth

On 9/19/06, Dr. Seth Olsen <seth.olsen at gmail.com> wrote:
>
>
> HI MMTKers,
>
> I'm running into an error I haven't seen before with functions like
> Collection.normalizePosition() and Collection.translateTo(Vector(0.,0.,0.).
> The error states:
>
> Traceback (most recent call last):
>   File "<stdin>", line 37, in ?
>   File "/usr/lib/python2.4/site-packages/MMTK/Collections.py", line 246,
> in normalizePosition
>     self.translateTo(Vector(0., 0., 0.))
>   File "/usr/lib/python2.4/site-packages/MMTK/Collections.py", line 243,
> in translateTo
>     self.translateBy(position-self.centerOfMass())
>   File "/usr/lib/python2.4/site-packages/MMTK/Collections.py", line 86, in
> centerOfMass
>     mr = mr + a._mass * a.position(conf)
>   File "Scientific_vector.pyx", line 74, in Scientific_vector.vector
> .__add__
> TypeError: Argument 'other' has incorrect type (expected
> Scientific_vector.vector, got array)
>
> Any ideas?
>
> Cheers,
>
> Seth
> --
> ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
>
> Dr Seth Olsen, PhD
> Postdoctoral Fellow, Biomolecular Modeling Group
> Centre for Computational Molecular Science
> Australian Institute for Bioengineering and Nanotechnology (Bldg. 75)
> The University of Queensland
> Qld 4072, Brisbane, Australia
>
> tel (617) 3346 3976
> fax (617) 33654623
> email: s.olsen1 at uq.edu.au
> Web: www.ccms.uq.edu.au
>
> ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> The opinions expressed here are my own and do not reflect the positions of
> the University of Queensland.
>



-- 
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Dr Seth Olsen, PhD
Postdoctoral Fellow, Biomolecular Modeling Group
Centre for Computational Molecular Science
Australian Institute for Bioengineering and Nanotechnology (Bldg. 75)
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 3346 3976
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au

ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
The opinions expressed here are my own and do not reflect the positions of
the University of Queensland.
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