On 2013-02-12 07:54, Peter wrote:
> Hi,
>
> I am new to openbabel and am trying to write short C++ applications using
> openbabel. The openbabel installation went on fine.
> Now I am trying to test a short code:
> e.g.
> #include
> #include
> #include
> using namespace std;
>
> int main(int argc
Hi,
I am new to openbabel and am trying to write short C++ applications using
openbabel. The openbabel installation went on fine.
Now I am trying to test a short code:
e.g.
#include
#include
#include
using namespace std;
int main(int argc,char **argv){
OBConversion conv(&cin,&cout);
if(co
> This gives me a file with only one 3D structure, which is actually the one
> obtained from the gen3d option. For some reason no conformers are generated.
> I also tried the FF derived searches at no success.
IIRC, you can't perform both the gen3d and the conformer search in one step
from the
