Ah, ok. The needed values are already in the global settings dialog. Regards,
Edward On 10 May 2010 10:05, Michael Bieri <[email protected]> wrote: > Hi Edward > > That's just temporary. I will add this to a setting dialog so it can be > changed. > > Cheers > > Edward d'Auvergne wrote: >> Hi Michael, >> >> Why are you hardcoding the PDB heteronucleus name into the GUI? The >> value of 'N' is not constant in the PDB, sometimes it is 'NH'! And >> what if I would like to perform a natural abundance Ca analysis? And >> the tryptophan side chain NH group? Further along in this method, >> I've noticed that the CSA value and bond length are also hardcoded. >> All of this needs to be removed and it should be taken from the global >> settings dialog where it already exists. >> >> Cheers, >> >> Edward >> >> >> On 10 May 2010 06:50, <[email protected]> wrote: >> >>> Author: michaelbieri >>> Date: Mon May 10 06:50:41 2010 >>> New Revision: 11179 >>> >>> URL: http://svn.gna.org/viewcvs/relax?rev=11179&view=rev >>> Log: >>> Variable for Hetero Nucleus name of PDB file was added. >>> >>> Modified: >>> branches/bieri_gui/gui_bieri/analyses/auto_model_free.py >>> >>> Modified: branches/bieri_gui/gui_bieri/analyses/auto_model_free.py >>> URL: >>> http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/auto_model_free.py?rev=11179&r1=11178&r2=11179&view=diff >>> ============================================================================== >>> --- branches/bieri_gui/gui_bieri/analyses/auto_model_free.py (original) >>> +++ branches/bieri_gui/gui_bieri/analyses/auto_model_free.py Mon May 10 >>> 06:50:41 2010 >>> @@ -521,6 +521,9 @@ >>> if data.structure_file == '!!! Sequence file selected !!!': >>> data.structure_file = None >>> >>> + # Name of heteronucleus in PDB File. >>> + data.het_name = 'N' >>> + >>> # The sequence data (file name, dir, mol_name_col, res_num_col, >>> res_name_col, spin_num_col, spin_name_col, sep). These are the arguments >>> to the sequence.read() user function, for more information please see the >>> documentation for that function. >>> data.seq_args = [ds.relax_gui.sequencefile, None, None, 1, None, >>> None, None, None] >>> >>> >>> >>> _______________________________________________ >>> 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 > _______________________________________________ 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
