PEATDB/Ekin/Titration.py
def convertpkadict(self, t):
        """Convert pka info from table into format for CSP func"""
        P={}
        s=':'
        for r in t:
            resnum = string.zfill(t[r]['resnum'], 4)
            name = 'A'+s+resnum+s+t[r]['resname']
            if t[r]['pka'] != '':
                P[name] = float(t[r]['pka'])

        return P
Convert pka info from table into format for CSP func
Convert pka info from table into format for CSP func
Convert pka info from table into format for CSP func
def convertpkadict(self, t):
        P={}
        s=':'
        for r in t:
            resnum = string.zfill(t[r]['resnum'], 4)
            name = 'A'+s+resnum+s+t[r]['resname']
            if t[r]['pka'] != '':
                P[name] = float(t[r]['pka'])
        return P
def convertpkadict ( self , t ) : P = { } s = ':' for r in t : resnum = string . zfill ( t [ r ] [ 'resnum' ] , 4 ) name = 'A' + s + resnum + s + t [ r ] [ 'resname' ] if t [ r ] [ 'pka' ] != '' : P [ name ] = float ( t [ r ] [ 'pka' ] ) return P
Convert pka info from table into format for CSP func
Convert pka info from table into format for CSP func
"""Convert pka info from table into format for CSP func"""
self
t