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:[email protected]] Sent: segunda-feira, 4 de Janeiro de 2010 10:46 To: Tiago Pais Cc: [email protected] 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 <[email protected]>: > 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 > > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-users mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-users > > _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
