Hi Marie-Noëlle,
What exactly is T.E.S.T.? Google cannot find it.
Without knowing, I'm guessing that you made a 2D structure. MOPAC requires
a 3D structure. Try using --gen3D to make a 3D structure.
If there is still a problem, it means that OB has gotten the units
confused, and it's a bug on ou
Hi, I am new in using tools such as babel and mopac. I am first running
a small test on formaldehyde. I have designed the mol file using
T.E.S.T. from US EPA, then used babel to get from .mol to .mop in
cartesian units. Now when I run mopac, some atoms are too close one from
the other. I cannot
Park,
You have LD_LIBRARY_PATH set up for your shell which the webserver known
nothing about. You should set up LD_LIBRARY_PATH for the apache (or
whatever httpd daemon you have) process.
I would do this in the script itself before importing openbabel module.
Igor
On Wed, 2012-04-25 at 03:16 -0
Solve problem!
This problem didn't relate with openbabel setting.
I wonder if someone have a trouble like this, I wrote how to solve this
problem.
At first... Do this on command line
# vi /etc/ld.so.conf
And add this line in ld.so.conf
/usr/local/lib
And the final step, adapting change.
# /sbin/
Thanks for your advice.
I checked web server error log and I found this message.
[error] [client xxx.xxx.xxx.xx] ImportError: libopenbabel.so.4: cannot open
shared object file: No such file or directory, referer: --.html
So I tried to fix this error and I found this error related with
LD_LI
