Hi all,
The Convert() function was used to generate index file for fast
searching. the code is:
-------------------------------------
#include<iostream>
#include<openbabel/mol.h>
#include<openbabel/obconversion.h>
using name std;
using name OpenBabel;
int main(int argc, char ** argv)
{
ifstream ifs(argv[1]);
ofstream ofs(argv[2]);
OBConversion conv;
if(!conv.SetInAndOutFormats("sdf","fs"))
cout<<" error in setting file format"<<endl;
if(!conv.Convert(&ifs, &ofs))
cout <<"error in creating index file"<<endl;
return 0;
}
--------------------------------------
but the *.fs file was not generated. The error message was " Open Babel Error
in WriteChemObject No datafile". Other file format except "fs" is OK. Would
you like to give me some help ? Thanks.
Best Regards
Duan Baogen
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