| 68 |
|
#include "lattice/LatticeCreator.hpp" |
| 69 |
|
#include "lattice/FCCLattice.hpp" |
| 70 |
|
|
| 71 |
< |
#include "openbabel/amberformat.hpp" |
| 72 |
< |
#include "openbabel/fingerprintformat.hpp" |
| 73 |
< |
#include "openbabel/gromos96format.hpp" |
| 71 |
> |
//#include "openbabel/amberformat.hpp" |
| 72 |
> |
//#include "openbabel/fingerprintformat.hpp" |
| 73 |
> |
//#include "openbabel/gromos96format.hpp" |
| 74 |
|
#include "openbabel/oopseformat.hpp" |
| 75 |
|
#include "openbabel/pdbformat.hpp" |
| 76 |
< |
#include "openbabel/povrayformat.hpp" |
| 77 |
< |
#include "openbabel/smilesformat.hpp" |
| 76 |
> |
//#include "openbabel/povrayformat.hpp" |
| 77 |
> |
//#include "openbabel/smilesformat.hpp" |
| 78 |
|
#include "openbabel/tinkerformat.hpp" |
| 79 |
|
#include "openbabel/xyzformat.hpp" |
| 80 |
|
|
| 122 |
|
} |
| 123 |
|
|
| 124 |
|
void registerOBFormats(){ |
| 125 |
< |
static OpenBabel::AmberPrepFormat amberFormatInstance; |
| 126 |
< |
static OpenBabel::FingerprintFormat fingerprintFormatInstance; |
| 125 |
> |
//static OpenBabel::AmberPrepFormat amberFormatInstance; |
| 126 |
> |
//static OpenBabel::FingerprintFormat fingerprintFormatInstance; |
| 127 |
|
static OpenBabel::OOPSEFormat oopseFormatInstance; |
| 128 |
|
static OpenBabel::PDBFormat pdbFormatInstance; |
| 129 |
< |
static OpenBabel::PovrayFormat povaryFormatInstance; |
| 130 |
< |
static OpenBabel::SMIFormat smilesFormatInstance; |
| 129 |
> |
//static OpenBabel::PovrayFormat povaryFormatInstance; |
| 130 |
> |
//static OpenBabel::SMIFormat smilesFormatInstance; |
| 131 |
|
static OpenBabel::TinkerFormat tinkerFormatInstance; |
| 132 |
|
static OpenBabel::XYZFormat xyzFormatInstance; |
| 133 |
|
} |
