Re: r13211 - /branches/xyz/generic_fns/structure/main.py -- June 24, 2011 - 12:01

Hi Edward,

now the system test passed for loading a desired model or all models of a molecule. And it also works for loading a specific atom and all atoms. But it won't work for loading all protons or carbons since there is no atom name. And the only specific one is the atom number in xyz file.

Best,

Han

 

On Jun 24, 2011, at 11:09 AM, Edward d'Auvergne wrote:

Debugging the user function load_spins() in generic_fns/structure/main.py for a proper residue check as suggest in: https://mail.gna.org/public/relax-devel/2011-06/msg00231.html.