Interactive visualization


In [1]:
%matplotlib inline
%load_ext autoreload
%autoreload 2
import logging
from eden.util import configure_logging
configure_logging(logging.getLogger(), verbosity=1)
from IPython.core.display import HTML
HTML('<style>.container { width:95% !important; }</style><style>.output_png {display: table-cell;text-align: center;vertical-align: middle;}</style>')


Out[1]:

In [3]:
pdb_fname = '4uug.pdb'
ligand_marker = 'PXG'

from eden_prot.io.pdb import load 
structure = load(pdb_fname)

In [4]:
from eden_prot.display import interactive_plot3d
int_w = interactive_plot3d(structure, ligand_marker)

from IPython.display import display
display(int_w)



In [4]:
from eden_prot.display import interactive_draw_ligand_protein
int_w2 = interactive_draw_ligand_protein(structure, ligand_marker)

from IPython.display import display
display(int_w2)