pKaTool/pKacalc_interface.py
def do_pka_calculation(self):
        """Run a full pKa calculation on the selected groups"""
        self.chwin=Toplevel()
        self.chwin.transient(self.master)
        self.set_geometry(self.master,self.chwin)
        self.chwin.title('Choose calculation type')
        self.set_enecalc_engine(self.chwin,row=0,column=0)
        Button(self.chwin,text='Run calculation',command=self.pKacalc_driver).grid(row=5,column=0)
        return
Run a full pKa calculation on the selected groups
Run a full pKa calculation on the selected groups
Run a full pKa calculation on the selected groups
def do_pka_calculation(self):
        self.chwin=Toplevel()
        self.chwin.transient(self.master)
        self.set_geometry(self.master,self.chwin)
        self.chwin.title('Choose calculation type')
        self.set_enecalc_engine(self.chwin,row=0,column=0)
        Button(self.chwin,text='Run calculation',command=self.pKacalc_driver).grid(row=5,column=0)
        return
def do_pka_calculation ( self ) : self . chwin = Toplevel ( ) self . chwin . transient ( self . master ) self . set_geometry ( self . master , self . chwin ) self . chwin . title ( 'Choose calculation type' ) self . set_enecalc_engine ( self . chwin , row = 0 , column = 0 ) Button ( self . chwin , text = 'Run calculation' , command = self . pKacalc_driver ) . grid ( row = 5 , column = 0 ) return
Run a full pKa calculation on the selected groups
Run a full pKa calculation on the selected groups
"""Run a full pKa calculation on the selected groups"""
self