from PEATDB.Ekin.Titration import TitrationAnalyser
from PEATDB.Base import PDatabase
from PEATDB.Ekin.Base import EkinProject
from PEATDB.DictEdit import DictEditor
import os
import pickle
cols = ['15N NMR', '1H NMR']
nuclnames = {'1H NMR':'H','15N NMR':'N'}
complete = ['HEWL', 'Bovine Beta-Lactoglobulin',
'Plastocyanin (Anabaena variabilis)',
'Plastocyanin (Phormidium)',
'Glutaredoxin', 'CexCD (Apo)',
'Protein G B1','Xylanase (Bacillus subtilus)']
col=cols[0]
nucl = nuclnames[col]
t = TitrationAnalyser()
#ghost mapping..
DB = PDatabase(server='peat.ucd.ie', username='******',
password='******', project='titration_db',
port=8080)
p=t.extractpKas(DB, col, names=['HEWL'], titratable=False, reliable=False, minspan=0.06)
t.mappKas(DB,col,p,names=['HEWL'],
nucleus=nucl,calculatespans=False)
from PEATDB.Ekin.Base import EkinProject
from PEATDB.DictEdit import DictEditor
import os
import pickle
cols = ['15N NMR', '1H NMR']
nuclnames = {'1H NMR': 'H', '15N NMR': 'N'}
complete = [
'HEWL', 'Bovine Beta-Lactoglobulin', 'Plastocyanin (Anabaena variabilis)',
'Plastocyanin (Phormidium)', 'Glutaredoxin', 'CexCD (Apo)', 'Protein G B1',
'Xylanase (Bacillus subtilus)'
]
col = cols[0]
nucl = nuclnames[col]
t = TitrationAnalyser()
#ghost mapping..
DB = PDatabase(server='peat.ucd.ie',
username='******',
password='******',
project='titration_db',
port=8080)
p = t.extractpKas(DB,
col,
names=['HEWL'],
titratable=False,
reliable=False,
minspan=0.06)
t.mappKas(DB, col, p, names=['HEWL'], nucleus=nucl, calculatespans=False)
