pKaTool/multiple_calc_analysis.py
def colour_dpKa(self,calc,resnum,restype):
        """Colour as a function of dpKa"""
        resid=resnum+':'+restype
        if calc['pkavals'].has_key(resid):
            dpka=calc['pkavals'][resid]['pKa']
            if dpka:
                dpka=dpka-calc['pkavals'][resid]['modelpK']
            else:
                dpka=None
            return dpka 
        return 'nontit'
Colour as a function of dpKa
Colour as a function of dpKa
Colour as a function of dpKa
def colour_dpKa(self,calc,resnum,restype):
        resid=resnum+':'+restype
        if calc['pkavals'].has_key(resid):
            dpka=calc['pkavals'][resid]['pKa']
            if dpka:
                dpka=dpka-calc['pkavals'][resid]['modelpK']
            else:
                dpka=None
            return dpka 
        return 'nontit'
def colour_dpKa ( self , calc , resnum , restype ) : resid = resnum + ':' + restype if calc [ 'pkavals' ] . has_key ( resid ) : dpka = calc [ 'pkavals' ] [ resid ] [ 'pKa' ] if dpka : dpka = dpka - calc [ 'pkavals' ] [ resid ] [ 'modelpK' ] else : dpka = None return dpka return 'nontit'
Colour as a function of dpKa
Colour as a function of dpKa
"""Colour as a function of dpKa"""
self
calc
resnum
restype