OERenderActiveSite¶
Link |
Description |
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renders an active site into an image |
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writes an active site display into a file |
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writes an active site display into an output stream |
See also
OEDrawActiveSiteLegend
functionOERenderActiveSiteMaps
functionOERenderBFactorMap
functionOERenderContactMap
functionOERenderUnpairedInteractionMap
function
Code Example
Visualizing Protein-Ligand Interactions OpenEye Python Cookbook recipe
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 OEInteractionHintContainer(receptor, ligand) object
OEImage image = new OEImage(800.0, 600.0);
OE2DActiveSiteDisplayOptions opts = new OE2DActiveSiteDisplayOptions(image.GetWidth(), image.GetHeight());
opts.SetRenderInteractiveLegend(true);
OE2DActiveSiteDisplay adisp = new OE2DActiveSiteDisplay(asite, opts);
oegrapheme.OERenderActiveSite(image, adisp);
oedepict.OEWriteImage("OERenderActiveSite-image-adisp.png", image);
See also
OE2DActiveSiteDisplay 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 OEInteractionHintContainer(receptor, ligand) object
OE2DActiveSiteDisplayOptions opts = new OE2DActiveSiteDisplayOptions(800.0, 600.0);
opts.SetRenderInteractiveLegend(true);
OE2DActiveSiteDisplay adisp = new OE2DActiveSiteDisplay(asite, opts);
oegrapheme.OERenderActiveSite("OERenderActiveSite-fname-adisp.png", adisp);
See also
OE2DActiveSiteDisplay 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 OEInteractionHintContainer(receptor, ligand) object
OE2DActiveSiteDisplayOptions opts = new OE2DActiveSiteDisplayOptions(800.0, 600.0);
opts.SetRenderInteractiveLegend(true);
OE2DActiveSiteDisplay adisp = new OE2DActiveSiteDisplay(asite, opts);
oeofstream ofs = new oeofstream("OERenderActiveSite-stream-adisp.png");
oegrapheme.OERenderActiveSite(ofs, "png", adisp);
ofs.close();
See also
OE2DActiveSiteDisplay class