OERenderActiveSite

The overloaded versions of the OERenderActiveSite function

Link	Description
OERenderActiveSite(image, adisp)	renders an active site into an image
OERenderActiveSite(filename, adisp)	writes an active site display into a file
OERenderActiveSite(stream, ext, adisp)	writes an active site display into an output stream

See also

• OEDrawActiveSiteLegend function

• OERenderActiveSiteMaps function

• OERenderBFactorMap function

• OERenderContactMap function

• OERenderUnpairedInteractionMap function

Code Example

• Depicting Active Site Interactions example

• Visualizing Protein-Ligand Interactions OpenEye Python Cookbook recipe

Example of using the OERenderActiveSite function

bool OERenderActiveSite(OEDepict::OEImageBase &image,
                        const OE2DActiveSiteDisplay &adisp)

Renders the active site display into an image.

image

The image in which the active site is drawn.

adisp

The OE2DActiveSiteDisplay object that holds the data necessary to depict the interactions of an active site.

Example:

# initializing asite oechem.OEInteractionHintContainer(receptor, ligand) object

image = oedepict.OEImage(800.0, 600.0)
opts = oegrapheme.OE2DActiveSiteDisplayOptions(image.GetWidth(), image.GetHeight())
opts.SetRenderInteractiveLegend(True)
adisp = oegrapheme.OE2DActiveSiteDisplay(asite, opts)

oegrapheme.OERenderActiveSite(image, adisp)
oedepict.OEWriteImage("OERenderActiveSite-image-adisp.svg", image)

See also

• OE2DActiveSiteDisplay class

• OE2DActiveSiteDisplayOptions class

bool OERenderActiveSite(const std::string &filename,
                        const OE2DActiveSiteDisplay &adisp)

Writes the active site display into a file.

filename

The name of the file into which the active site display is being written. The extension of the filename determine the type of the image.

adisp

The OE2DActiveSiteDisplay object that holds the data necessary to depict the interactions of an active site.

Example:

# initializing asite oechem.OEInteractionHintContainer(receptor, ligand) object

opts = oegrapheme.OE2DActiveSiteDisplayOptions(800.0, 600.0)
opts.SetRenderInteractiveLegend(True)
adisp = oegrapheme.OE2DActiveSiteDisplay(asite, opts)

oegrapheme.OERenderActiveSite("OERenderActiveSite-fname-adisp.svg", adisp)

See also

• OE2DActiveSiteDisplay class

• OE2DActiveSiteDisplayOptions class

bool OERenderActiveSite(OEPlatform::oeostream &os,
                        const std::string &extension,
                        const OE2DActiveSiteDisplay &adisp)

Writes the active site display into a stream.

os

The stream into which the active site is being written.

ext

The extension which determine the type of the image.

adisp

The OE2DActiveSiteDisplay object that holds the data necessary to depict the interactions of an active site.

Example:

# initializing asite oechem.OEInteractionHintContainer(receptor, ligand) object

opts = oegrapheme.OE2DActiveSiteDisplayOptions(800.0, 600.0)
opts.SetRenderInteractiveLegend(True)
adisp = oegrapheme.OE2DActiveSiteDisplay(asite, opts)

ofs = oechem.oeofstream("OERenderActiveSite-stream-adisp.svg")
oegrapheme.OERenderActiveSite(ofs, "svg", adisp)

See also

• OE2DActiveSiteDisplay class

• OE2DActiveSiteDisplayOptions class