Hi, The spins are loaded in the data files... is this you mean? Or are you referring to the function spin.create()? Cheers
-----Original Message----- From: [email protected] [mailto:[email protected]] On Behalf Of Edward d'Auvergne Sent: quarta-feira, 6 de Janeiro de 2010 16:17 To: Tiago Pais Cc: [email protected] Subject: Re: Extracting vectors from multiple spins Hi, This is strange, it should work! Could you file a bug report for this? If you include data for one or two spins that can reproduce this, and the script that was used, I should be able to sort out what is happening very quickly. Though maybe it's just in the script. If you have the 'CA' and 'CB' spins loaded, the structure.vectors() call should work. Are these spins loaded into the program before calling structure.vectors()? Cheers, Edward 2010/1/4 Tiago Pais <[email protected]>: > 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
