search for: obconversion

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2013 Mar 25
1
using openbabel plugins in R
...it would be nice if I can make use of any existing installed shared obenbabel libraries. If it turns out it can't be done, then I'll go down that path. Thanks. Here is an example of the problem: test program (obtest2.cc): #include <iostream> #include <openbabel/obconversion.h> #include <R.h> #include <Rinternals.h> extern "C" { SEXP test(); } int main(){ test(); } SEXP test() { OpenBabel::OBConversion conv; OpenBabel::OBFormat *format = conv.FindFormat("SDF"); //...