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, <hasu@xxxxxxxxxxxxxxxxx> 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 relax-commits@xxxxxxx 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