Greetings,
I compiled openbabel with python binding and I have 3 account on a HPC
cluster.
So I just copy the compiled files to the other 2 account and make the
environment correct.
But I got the same error in the 2 account when I was running a python
program imported pybel:
Traceback (most
Hi,
You also have to copy the bash variables you've set. Have you done that?
There is no reason it shouldn't work, unless you've configured it right.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2013/10/30 Zhengyh swanboi...@gmail.com
Greetings,
I compiled
Hi all,
has anyone already has experience with compiling OpenBabel 2.3.2 under OS X
10.9 (Maverick)?
I tried it (after installing the XCode and Developer tools, as well as cmake
and pkg-config from Homebrew) and got the following:
In file included from
has anyone already has experience with compiling OpenBabel 2.3.2 under OS X
10.9 (Maverick)?
I’m obviously compiling “master” but my laptop uses Mavericks and there’s no
problem.
Are you using boost? This should be un-necessary. Can you send me the
CMakeCache file from your build directory?
On 10/30/2013 07:42 PM, Maciek Wójcikowski wrote:
Hi,
You also have to copy the bash variables you've set. Have you done that?
There is no reason it shouldn't work, unless you've configured it right.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
On 10/30/2013 10:04 PM, Hans De Winter wrote:
Hi all,
has anyone already has experience with compiling OpenBabel 2.3.2 under
OS X 10.9 (Maverick)?
Isn't Open Babel available under homebrew for OS X?
https://github.com/mxcl/homebrew
I tried it (after installing the XCode and Developer
On 10/31/2013 09:40 AM, Francois Berenger wrote:
On 10/30/2013 10:04 PM, Hans De Winter wrote:
Hi all,
has anyone already has experience with compiling OpenBabel 2.3.2 under
OS X 10.9 (Maverick)?
Isn't Open Babel available under homebrew for OS X?
https://github.com/mxcl/homebrew
It is!
Dear OB users,
I came across a problem of converting XYZ to HIN format for imine
compounds. In more detail, the double C=N bond in imine series is
determined as a single bond. (As a result, atom typification for Merck
force field is completely screwed up.)
See the output hin-file bellow, the C=N