On Wed, Jun 30, 2010 at 9:28 PM, Christopher Wassman
wrote:
> Looks like Geoff already committed some changes into svn.
I don't like the way fixed atoms are translated to fixed bonds though.
To fix a bond, at least 4 atoms need to be fixed. But even if we
changed this to 2, there are still ambigu
Looks like Geoff already committed some changes into svn.
You guys rock.
Cheers,
Chris.
On Wed, Jun 30, 2010 at 9:14 AM, Tim Vandermeersch
wrote:
> On Wed, Jun 30, 2010 at 6:05 AM, Geoffrey Hutchison
> wrote:
>>> I edited "src/forcefield.cpp", adding this line:
>>> rl.SetFixAtoms(_constraint
On Wed, Jun 30, 2010 at 6:05 AM, Geoffrey Hutchison
wrote:
>> I edited "src/forcefield.cpp", adding this line:
>> rl.SetFixAtoms(_constraints.GetFixedBitVec());
>
> Well, that's not quite kosher, since the constraints will return a temporary
> variable, and SetFixAtoms wants a reference. It's e
> g++ -Wall -L/home/athri/openbabel-2.2.3/src/.libs/
> -I/home/athri/openbabel-2.2.3 ./ex-1.cpp -o ex1
...
> The compiler does not find mol.h [“openbabel/mol.h: No such file or
> directory"]
Well, if you want the header, you'd need something like:
g++ -Wall -I/home/athri/openbabel-2.2.3/includ
Dear List,
I just downloaded and installed OpenBabel locally (non-root) and set $PATH and
$LD_LIBRARY_PATH as per instructions.
When I try to compile the example code:
#include
#include
int main ()
{}
With the command:
g++ -Wall -L/home/athri/openbabel-2.2.3/src/.libs/
-I/home/athri/openba
Dear List,
I just downloaded and installed OpenBabel locally (non-root)
and set $PATH and $LD_LIBRARY_PATH as per instructions.
When I try to compile the example code:
#include
#include
int main ()
{}
With the command:
g++ -Wall
-L/home/athri/openbabel-2.2.3/src/.libs/ -I/home/athri/open
