Hi, This seems quite strange. When running the test suite, the system tests have 11 failures and 44 errors. There appears to be a problem whereby all spins are being put into the first residue. I.e. multiple residues are no longer supported. This will require a bit of digging.
Regards, Edward On 26 July 2011 18:57, Han Sun <[email protected]> wrote: > Hi Edward, > Now the test passes for reading the xyz file and loading the spins. But > there is a problem for loading the spins in the pdb file. The reason is in > the generic_fns/structure/main.py function load_spins. We added a check to > see whether the residue name exists or not. When not, it will add one. And I > found this rises the problem now for loading the spins of a pdb file > properly. Do you have a idea how to solve it? > Best, > Han > Begin forwarded message: > > From: [email protected] > Date: July 26, 2011 6:47:49 PM GMT+02:00 > To: [email protected] > Subject: r13900 - /branches/xyz/generic_fns/structure/main.py > Reply-To: [email protected] > Author: han87 > Date: Tue Jul 26 18:47:49 2011 > New Revision: 13900 > URL: http://svn.gna.org/viewcvs/relax?rev=13900&view=rev > Log: > Changing the code in the generic_fns/structure/main.py > For printing out of modified spins, a test to check whether the spin_name > exists or not is added. > Modified: > branches/xyz/generic_fns/structure/main.py > Modified: branches/xyz/generic_fns/structure/main.py > URL: > http://svn.gna.org/viewcvs/relax/branches/xyz/generic_fns/structure/main.py?rev=13900&r1=13899&r2=13900&view=diff > ============================================================================== > --- branches/xyz/generic_fns/structure/main.py (original) > +++ branches/xyz/generic_fns/structure/main.py Tue Jul 26 18:47:49 2011 > @@ -602,7 +602,10 @@ > # Print out of modified spins. > if verbosity: > - print(("Extracted " + str(spin.num) + "-" + str(attached_name) > + " vectors for " + repr(id) + '.')) > + if spin.name: > + print(("Extracted " + spin.name + "-" + str(attached_name) > + " vectors for " + repr(id) + '.')) > + else: > + print(("Extracted " + str(spin.num) + "-" + > str(attached_name) + " vectors for " + repr(id) + '.')) > # Right, catch the problem of missing vectors to prevent massive user > confusion! > if no_vectors: > > _______________________________________________ > relax (http://nmr-relax.com) > This is the relax-commits 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-commits > > _______________________________________________ > relax (http://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 > > _______________________________________________ relax (http://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
