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src/p/e/PEATDB-2.3/PEATDB/plugins/titranalysis.py   PEATDB(Download)
from Tkinter import *
from PEATDB.GUI_helper import *
from PEATDB.Ekin.Titration import TitrationAnalyser
from PEATDB.Base import PDatabase
from PEATDB.Ekin.Base import EkinProject
    def analysepKas(self, p=None):
        """Get the main pKas of all/titr group and do analysis"""
        E = self.currprj
        if E==None: return
        t = TitrationAnalyser()
 
        nuclnames = {'1H NMR':'H','15N NMR':'N'}
        t = TitrationAnalyser()
        #extract reliable pkas from selected proteins
        #p = t.extractpKas(DB, col, names=names, titratable=False, reliable=False, minspan=0.06)
            E = DB[prot][col]
            E.checkDatasets()
        t = TitrationAnalyser()
        if refit == True:
            models = ['Linear', '1 pKa 2 Chemical shifts',
    def addpKaTables(self, DB, names, col='1H NMR'):
        """Create labbook tables for 'real' pKas for required proteins"""
        t = TitrationAnalyser()
        prots = t.getProtNames(DB)
        for name in names:

src/p/e/PEATDB-2.3/PEATDB/scripts/titDB_Stats.py   PEATDB(Download)
import numpy
from PEATDB.Base import PDatabase 
from PEATDB.Ekin.Titration import TitrationAnalyser
from PEATDB.Ekin.Base import EkinProject, EkinDataset
 
path=os.environ['HOME']
 
t = TitrationAnalyser()

src/p/e/PEATDB-2.3/PEATDB/scripts/manyGhosts.py   PEATDB(Download)
from pymol import stored
 
from PEATDB.Ekin.Titration import TitrationAnalyser
from PEATDB.Base import PDatabase
from PEATDB.Ekin.Base import EkinProject
col=cols[0]
nucl = nuclnames[col]
t = TitrationAnalyser()
 
#ghost mapping..

src/p/e/PEATDB-2.3/PEATDB/Ekin/Ekin_main.py   PEATDB(Download)
import Ekin_images
from PEATDB.Ekin.ModelDesign import ModelDesignApp
from PEATDB.Ekin.Titration import TitrationAnalyser
from PEATDB.GUI_helper import *