Re: [Open Babel] Using pybel.readstring() and using pybel in Python 2.7

2017-03-09 Thread Fredrik Wallner
Looking at the error message it looks like you could solve the problem by installing Swig. However, there might be easier ways to do it. It looks like you installed OpenBabel through Homebrew on a Mac, is that right? If so, did you specify "--with-python", that is run the command as "brew instal

Re: [Open Babel] Using pybel.readstring() and using pybel in Python 2.7

2017-03-09 Thread Quim Aguirre
Thank you David! I have also tried installing openbabel, but I get the following error: $> pip install openbabel Collecting openbabel Downloading openbabel-2.4.1.tar.gz (74kB) 100% || 81kB 1.1MB/s Installing collected packages: openbabel Running setup.py i

Re: [Open Babel] Using pybel.readstring() and using pybel in Python 2.7

2017-03-09 Thread David Hall
Quoting from Matt Swain a couple weeks ago: > pip install pybel is not correct. That's an unrelated package. Instead, do > pip install openbabel -David > On Mar 9, 2017, at 8:29 AM, Quim Aguirre wrote: > > Hello, > > I am new at using Open Babel software. My intention is to use "Pybel" to

[Open Babel] Using pybel.readstring() and using pybel in Python 2.7

2017-03-09 Thread Quim Aguirre
Hello, I am new at using Open Babel software. My intention is to use "Pybel" to calculate structural similarity. First, I have installed Pybel for Python 3 this way: $> pip3 install pybel However, I cannot use the function "readstring": $> python3 >>> import pybel >>> smiles = ['', 'CCCN']