grid_visualization.py
def make_types(atom, root, receptor):
	'''
	Function that writes a types file for all the points created from make_points in root

	Returns the name of the file
	'''
	def atoi(text):
		return int(text) if text.isdigit() else text

	def natural_keys(text):
		return [ atoi(c) for c in re.split(r'(\d+)', text) ]

	gninatypes=glob.glob(root+atom+'/'+atom+'*.gninatypes')
	gninatypes.sort(key=natural_keys)
	filename=root+receptor.split('_0.gnina')[0]+'_'+atom+'.types'
	with open(filename,'w') as out:
		for g in gninatypes:
			out.write('1 3.0 0.00 '+receptor+' '+g+'\n')

	return filename

	Function that writes a types file for all the points created from make_points in root

	Returns the name of the file
	
Function that writes a types file for all the points created from make_points in root
Returns the name of the file
Function that writes a types file for all the points created from make_points in root Returns the name of the file
def make_types(atom, root, receptor):
	def atoi(text):
		return int(text) if text.isdigit() else text
	def natural_keys(text):
		return [ atoi(c) for c in re.split(r'(\d+)', text) ]
	gninatypes=glob.glob(root+atom+'/'+atom+'*.gninatypes')
	gninatypes.sort(key=natural_keys)
	filename=root+receptor.split('_0.gnina')[0]+'_'+atom+'.types'
	with open(filename,'w') as out:
		for g in gninatypes:
			out.write('1 3.0 0.00 '+receptor+' '+g+'\n')
	return filename
def make_types ( atom , root , receptor ) : def atoi ( text ) : return int ( text ) if text . isdigit ( ) else text def natural_keys ( text ) : return [ atoi ( c ) for c in re . split ( r'(\d+)' , text ) ] gninatypes = glob . glob ( root + atom + '/' + atom + '*.gninatypes' ) gninatypes . sort ( key = natural_keys ) filename = root + receptor . split ( '_0.gnina' ) [ 0 ] + '_' + atom + '.types' with open ( filename , 'w' ) as out : for g in gninatypes : out . write ( '1 3.0 0.00 ' + receptor + ' ' + g + '\n' ) return filename
Function that writes a types file for all the points created from make_points in root
Returns the name of the file
Function that writes a types file for all the points created from make_points in root Returns the name of the file
'''
	Function that writes a types file for all the points created from make_points in root

	Returns the name of the file
	'''
atom
root
receptor