mailRe: Extracting vectors from multiple spins


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Posted by Edward d'Auvergne on January 04, 2010 - 11:45:
Hi,

You could try something such as:

relax> structure.vectors(spin_id='@CA', attached='H1', ave=False)

and:

relax> structure.vectors(spin_id='@CB', attached='H2', ave=False)

if that is how the atoms are named.  Hope this helps.

Regards,

Edward



2009/12/17 Tiago Pais <tpais@xxxxxxxxxxx>:
Hello guys,

Does anyone know if it is possible to extract vectors for multiple spins in
the same run?

Lets say I would like to extract vectors for example from Ca to H1 and Cb to
H2. For the proton attached I imagine one can use the “*” character but for
the spin itself I don’t see how it can be done.

If anyone has any idea, please reply.

Cheers

Tiago P



**************************************

Tiago Pais, PhD. student

Cell Physiology & NMR

Instituto de Tecnologia Química e Biológica-Oeiras



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