Dear OPenBabel Users
I am using OpenBabel in my (Java) application and want to pack this
application and use it in different operating systems like Windows, Linux,
and MacOs.
I have compiled JAVA bindings for OpenBabel using the command
*sudo cmake
/home/vin/openbabel2.4-DCMAKE_INSTALL_PR
Hello,
I am trying to open a large .rsmi file (443 MB) with Python (open babel
library), but every time I try the script freezes. I have tried also to split
the file through Open Babel software for Windows, but I could not do that.
I need to go through the reactions contained in the file to s
Unfortunately, neither the current release nor development code can handle
rsmi from Python. If you wish to do this, you should check out the branch
referred to in the following pull request:
https://github.com/openbabel/openbabel/pull/1836
Regards,
- Noel
On 16 July 2018 at 15:28, Mirko Hu wrot
Hi everyone,
The confab conformer search has been a life saver for me. There is only a small
but Important issue. Any help would be greatly appreciated.
When I do conformer search on ethanol it finds no conformer for it simply
because it ignores the CCOH as a rotatable bond. However, this becom
