Re: [Open Babel] Where can I see the tanimoto formula? (Pybel)

Thank you very much. I need to calculate something which is similar to tanimoto and I can calculate with your answer. REALLY Thank you for your help! Park. -- Live Security Virtual Conference Exclusive live event will cov

[Open Babel] Where can I see the tanimoto formula? (Pybel)

I guessed "_openbabel.so" has tanimoto formula and calculates it, but I cannot see inside of "_openbabel.so". Can I get the code of tanimoto calculate function? >From that... I want to calculate substructure coefficient. I'll be thank full for your help and kindness ;) Park. ---

[Open Babel] Can I get substructure with pybel?

Hi I need to calculate substructure coefficient with pybel & python. But I cannot find the method to get substructure coefficient in pybel API. So I tried to calculate by formula but the number of bits in fingerprint are different each other. I use this formula.. Substructure = Nab / Na How can I

Re: [Open Babel] Why this happening? using ob.py from html

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/

Re: [Open Babel] Why this happening? using ob.py from html

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

[Open Babel] Why this happening? using ob.py from html

I call python file by using ajax (html file) with sending a data. And in that python file, when I typed "import openbabel" then it didn't work. However when I typed "import openbabel" in python command line or run a python file with openbabel, it didn't call error. It works very well. Only callin

[Open Babel] I got some errors while 'make' after python binding

I installed Openbabel on Fedora with Python. And also I followed http://openbabel.org/docs/2.3.1/Installation/install.html#compiling-open-babel after building. But I got some errors at here. $ cmake ../openbabel-2.3.1 -DPYTHON_BINDINGS=ON*$ make <- Here.*# make install$ export PYTHONPATH=/usr/loca

[Open Babel] Got some errors while compiling Open Babel.

Extract openbabel.tar.gz and make folder 'build'. and do cmake... And after that, I got some errors while process 'make'. Like below. [root@ build]# make [ 20%] Built target openbabel [ 22%] Built target plugin_charges [ 24%] Built target plugin_descriptors [ 25%] Built target plugin_fingerpr