Ghost/Chemical_shift.py
def plot_curves(self,exper_CS):
		'''This function plots for every residue both experimental CS curves and all calculated CS curves one for every dielectric constant
		Only the curves for residues which NMR data exist are plotted'''
		print "Ploting ghost titration curves in figures/"
		if exper_CS != None:
			residues=exper_CS.keys()
		else:
			residues=self.residues
		residues.sort()
		for residue in residues:
			clf()
			figure(num=1,dpi=400,figsize=(10,5),frameon=False)
			grid(True)
			hold=(True)
			if exper_CS != None:
				y=self.preprocess(exper_CS[residue])
				y=array(y)
				plot(self.ph_values,y,'r',linewidth=1.5)
				
			xlabel('pH values')
			diel=self.diel_low
			while diel <= self.diel_high:
				z=self.preprocess(self.delta_CS[residue][diel])
				z=array(z)
				plot(self.ph_values,z,'b',linewidth=0.8)
				diel+=self.diel_increment
			
			if not os.path.isdir(os.path.join(os.getcwd(),'figures/')):
				os.system('mkdir figures')
			dir_name=os.path.join(os.getcwd(),'figures/')
			file_name=dir_name+'%sres%s.png'%(self.pdb,residue)
			#axis([2, 8, 0, 2.5])
			savefig(file_name)
This function plots for every residue both experimental CS curves and all calculated CS curves one for every dielectric constant
		Only the curves for residues which NMR data exist are plotted
This function plots for every residue both experimental CS curves and all calculated CS curves one for every dielectric constant
Only the curves for residues which NMR data exist are plotted
This function plots for every residue both experimental CS curves and all calculated CS curves one for every dielectric constant Only the curves for residues which NMR data exist are plotted
def plot_curves(self,exper_CS):
		print "Ploting ghost titration curves in figures/"
		if exper_CS != None:
			residues=exper_CS.keys()
		else:
			residues=self.residues
		residues.sort()
		for residue in residues:
			clf()
			figure(num=1,dpi=400,figsize=(10,5),frameon=False)
			grid(True)
			hold=(True)
			if exper_CS != None:
				y=self.preprocess(exper_CS[residue])
				y=array(y)
				plot(self.ph_values,y,'r',linewidth=1.5)
			xlabel('pH values')
			diel=self.diel_low
			while diel <= self.diel_high:
				z=self.preprocess(self.delta_CS[residue][diel])
				z=array(z)
				plot(self.ph_values,z,'b',linewidth=0.8)
				diel+=self.diel_increment
			if not os.path.isdir(os.path.join(os.getcwd(),'figures/')):
				os.system('mkdir figures')
			dir_name=os.path.join(os.getcwd(),'figures/')
			file_name=dir_name+'%sres%s.png'%(self.pdb,residue)
			savefig(file_name)
def plot_curves ( self , exper_CS ) : print "Ploting ghost titration curves in figures/" if exper_CS != None : residues = exper_CS . keys ( ) else : residues = self . residues residues . sort ( ) for residue in residues : clf ( ) figure ( num = 1 , dpi = 400 , figsize = ( 10 , 5 ) , frameon = False ) grid ( True ) hold = ( True ) if exper_CS != None : y = self . preprocess ( exper_CS [ residue ] ) y = array ( y ) plot ( self . ph_values , y , 'r' , linewidth = 1.5 ) xlabel ( 'pH values' ) diel = self . diel_low while diel <= self . diel_high : z = self . preprocess ( self . delta_CS [ residue ] [ diel ] ) z = array ( z ) plot ( self . ph_values , z , 'b' , linewidth = 0.8 ) diel += self . diel_increment if not os . path . isdir ( os . path . join ( os . getcwd ( ) , 'figures/' ) ) : os . system ( 'mkdir figures' ) dir_name = os . path . join ( os . getcwd ( ) , 'figures/' ) file_name = dir_name + '%sres%s.png' % ( self . pdb , residue ) savefig ( file_name )
This function plots for every residue both experimental CS curves and all calculated CS curves one for every dielectric constant
Only the curves for residues which NMR data exist are plotted
This function plots for every residue both experimental CS curves and all calculated CS curves one for every dielectric constant Only the curves for residues which NMR data exist are plotted
'''This function plots for every residue both experimental CS curves and all calculated CS curves one for every dielectric constant
		Only the curves for residues which NMR data exist are plotted''' #axis([2, 8, 0, 2.5])
self
exper_CS