Hi Mengjun, This is fixed in the relax source code repository (see https://gna.org/svn/?group=relax), specifically in the directory called 'trunk'. As you are not a project member (i.e. you have not been voted in as a relax developer), you can follow the instructions for the "Anonymous SVN Access" in the above link to obtain the most recent code. Alternatively you could wait until I release relax 2.1.2, though that may take a while (possibly months depending on the relax development pace).
Regards, Edward On 27 September 2012 18:13, <[email protected]> wrote: > Dear Dr. Edward d Auvergne, > > Thank you for your answers, the scrips loaded a pdb file with H > (1UBQ_H.pdb), therefore, as your suggestioins, and I delete > sequence.attach_protons(), and run the the scripts again, the error is as > shown in following, which is same to that when I run the script without > deleting sequence.attach_protons(): > > RelaxError: The spin ID ':2' corresponds to more than a single spin in the > current data pipe. > > Thank you very much. > > With best regards, > > Mengjun Xue > > Quoting Edward d Auvergne <[email protected]>: > >> Update of bug #20201 (project relax): >> >> Status: Confirmed => Fixed >> Open/Closed: Open => Closed >> Release: 2.1.0 => 2.1.1 >> Operating System: Microsoft Windows => All systems >> >> _______________________________________________________ >> >> Follow-up Comment #4: >> >> This problem is two-fold. Firstly relax was expecting only a single spin >> per >> residue to be loaded prior to the bruker.read user function call. This >> behaviour has now changed. Secondly the attached script is problematic. >> There are two incompatible user function calls in the script: >> >> structure.load_spins('@H', ave_pos=True) >> >> and: >> >> sequence.attach_protons() >> >> Attaching protons where protons already exist does not make sense, and >> relax >> naturally quits with the message: >> >> RelaxError: The unnumbered spin name 'H' already exists. >> >> Removing one of the two calls allows the script to run. >> >> _______________________________________________________ >> >> Reply to this item at: >> >> <http://gna.org/bugs/?20201> >> >> _______________________________________________ >> Message sent via/by Gna! >> http://gna.org/ >> >> >> > > > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel 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-devel
