If you would like to revert this change, please use the command: $ svn merge -r13167:13166 .
Remember to include this command in the commit message, as well as links to the mailing list messages. Cheers, Edward On 22 June 2011 17:53, Edward d'Auvergne <[email protected]> wrote: > Hi Han, > > From the two XYZ files you have added to your branch, the atom names > are single letters. The '@*C*' notation is only needed if the carbon > atom is named something like 6C, C6, 1C6, etc. In the XYZ file > though, '@C' should be sufficient. Are there XYZ files where the > atoms have more complex names? > > Cheers, > > Edward > > > On 22 June 2011 17:16, <[email protected]> wrote: >> Author: han87 >> Date: Wed Jun 22 17:16:17 2011 >> New Revision: 13167 >> >> URL: http://svn.gna.org/viewcvs/relax?rev=13167&view=rev >> Log: >> Changing the description in the user function load_spins(). >> >> In description of the funtion load_spins() in prompt/structure.py the >> example for loading all C atoms was changed from 'relax> >> structure.load_spins(spin_id='@C')' to relax> >> structure.load_spins(spin_id='@*C*'). >> >> Modified: >> branches/xyz/prompt/structure.py >> >> Modified: branches/xyz/prompt/structure.py >> URL: >> http://svn.gna.org/viewcvs/relax/branches/xyz/prompt/structure.py?rev=13167&r1=13166&r2=13167&view=diff >> ============================================================================== >> --- branches/xyz/prompt/structure.py (original) >> +++ branches/xyz/prompt/structure.py Wed Jun 22 17:16:17 2011 >> @@ -341,7 +341,7 @@ >> To load all C atoms from the 'test.xyz' (which is a single >> molecule), type the following two user functions: >> >> relax> structure.read_xyz('test.xyz') >> - relax> structure.load_spins(spin_id='@C') >> + relax> structure.load_spins(spin_id='@*C*') >> >> To load only the third atom from the xyz file, type the following >> user function: >> relax> structure.load_spins(spin_id='@3') >> >> >> _______________________________________________ >> 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
