Re: [IMP-users] getting the MCCGsampler to work (Josh Bullock)

[Ben Webb <>]

On 7/15/14, 5:11 AM, Josh Bullock wrote:
> so when i create a rigid body, i'm decorating a selection of particles -
> but it's the particles that hold all the information. and what i want to
> add to the root hierarchy are the decorated particles, not the decorator
> itself, correct ? i think that this is why i was getting no mass before.

A decorator is simply a pointer to a particle. Generally speaking you 
can use a decorator wherever a particle is expected, and the underlying 
particle will be automatically extracted.

> so when i load a pdb into IMP, a particle is created for each atom ?

Yes, but also for each residue, chain, and protein.

> rb_mover = IMP.core.RigidBodyMover(m,
> IMP.kernel.Particle.get_index(IMP.Particle(m)), maxTranslation,
> maxRotation )

Not sure what you're trying to do here. This will create a new empty 
particle (not a rigid body). RigidBodyMover expects you to pass it an 
existing rigid body, usually created from an existing hierarchy by means 
of create_rigid_body().

	Ben
--
                      http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle