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
