I have tried that before but it doesn't work - there's the spin.name issue.
When it is running the second spin there is a warning message:
RelaxWarning: The spin ':140&:W@CD1' is already named. Set the force flag
to rename
It goes like this for all the residues and then it stops:
The attached atom is not a proton.
RelaxError: No vectors could be extracted.
Cheers
TiagoP
-----Original Message-----
From: Edward d'Auvergne [mailto:edward.dauvergne@xxxxxxxxx]
Sent: segunda-feira, 4 de Janeiro de 2010 10:46
To: Tiago Pais
Cc: relax-users@xxxxxxx
Subject: Re: Extracting vectors from multiple spins
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 dont 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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RE: Extracting vectors from multiple spins