Depicting Active Site Interactions¶
A program that depicts receptor-ligand interactions.
See also
Visualizing Protein-Ligand Interactions OpenEye Python Cookbook example
Command Line Interface¶
A description of the command line interface can be obtained by executing the program with the –help argument.
prompt> Complex2Img --help
will generate the following output:
[-complex] <input> [-out] <output image>
Simple parameter list
-height : Height of output image
-width : Width of output image
SplitMolComplex options :
-ligandname : Ligand name
input/output options
-complex : Input filename of the protein complex
-out : Output filename
molecule display options
-aromstyle : Aromatic ring display style
Code¶
Download code
See also
OESplitMolComplex
function in OEChem TKOEInteractionHintContainer
class in OEChem TKOEPerceiveInteractionHints
function in OEChem TKOEPrepareActiveSiteDepiction
functionOE2DActiveSiteDisplay
class andOERenderActiveSite
functionOEDrawActiveSiteLegend
function
Examples¶
prompt> Complex2Img complex2img.py -complex pdb1br6.ent -out 1br6-PT1.png
will generate the image shown in Figure: Example of depicting the receptor-ligand interaction (PDB: 1br6).

Example of depicting the receptor-ligand interactions (PDB: 1br6)¶
prompt> Complex2Img.py -complex pdb1eoc.ent -out 1eoc-4NC.png
will generate the image shown in Figure: Example of depicting the receptor-ligand interaction (PDB: 1eoc).

Example of depicting the receptor-ligand interactions (PDB: 1eoc)¶