openbabel

问题 I am using Python for making a script to work with some chemical structures in my PhD. I want to install openbabel libraries for python. I tried my best but I could not install it on Windows. I posted a question earlier about installing it on Windows at How do I install openbabel for Python 3.6 in Windows 10? but could not find a solution. The solution installed the library but it does not work and could not connect to SWIG. No I am trying to install it on my office computer which is a mac

问题 I tried pip install openbabel --log log_file and I got the following error: Collecting openbabel Using cached openbabel-2.4.1.tar.gz (74 kB) Building wheels for collected packages: openbabel Building wheel for openbabel (setup.py) ... error ERROR: Failed building wheel for openbabel Running setup.py clean for openbabel Failed to build openbabel Installing collected packages: openbabel Running setup.py install for openbabel ... error ERROR: Command errored out with exit status 1: /usr/local

问题 I use Travis CI as part of a Toxicology mapping project. For this project I require python-openbabel as a dependency. As such, I have added the apt-get installer to the .travis.yml file, shown below ( comments removed ). language: python python: - "2.7" before_install: - sudo apt-get update -qq - sudo apt-get install python-openbabel install: "pip install -r requirements.txt" script: nosetests tox.py However, all these attempts failed with the error message Error: SWIG failed. Is Open Babel

问题 I am using Python for making a script to work with some chemical structures in my PhD. I want to install openbabel libraries for python. I tried my best but I could not install it. It always gives error: Error: SWIG failed. Is Open Babel installed? Here is the Python Path on my PC: C:\Users\malih\AppData\Local\Programs\Python\Python36-32 . Openbabel is installed at the following path C:\Program Files (x86)\OpenBabel-2.3.1 . When I run python -m pip install openbabel , it gives the following

问题 I am using Pybel - a Python wrapper around the OpenBabel API, and I am trying to disable warnings such as these: ============================== *** Open Babel Warning in ParseComplex Illegal aromatic element b- My warnings were raised consistently when fingerprinting molecule SMILES fetched from ChEMBL 回答1: You can obtain a handle to the openbabel logger (the class OBMessageHandler ) off of the openbabel module. The trick is to first access the openbabel module off of the pybel module , grab