This example usesmolviewerto visualize the molecular structure, which is shipped as part of MathWorks Bioinformatics toolbox. The output is saves as a MATLAB.matfile for further processing. One can then use Matlab's multiple built-inGraph and Network Algorithmsfor graph structure analysis. ...
{//Obtains an OBMol// either from the SMARTS string in the -s option// or by converting the file in the -S option//or, if neither option is provided, displays information on the index file.stringstreamsmiles(stringstream::out); ifstream patternstream;OBConversionPatternConv(&patternstream,&s...