Re: [Open Babel] open babel source installation - issues

> 4 warnings generated. > 36 warnings generated. That’s not the actual error - those are warnings. Can you send the entire log of “make”? >> I assume, due to the paths not specified in MACOSX_RPATH for inchi and >> openbabel, that I’m having issues with the installation. I would usually go >>

Re: [Open Babel] Openbabel to work with optimize command in pymol

Hi, I'd say that the easiest way to get python access to OpenBabel, is to use the conda distribution (”conda install openbabel”) provided that you install and use the Anaconda Python distribution (www.continuum.io/downloads). Kind regards, Fredrik On 3 mars 2017 18:27 +0100, Bhattacharjee, Arn

Re: [Open Babel] Conversion : CML to SDF

Sebastian While reading CML files, OB ignores most elements and attributes it does not understand. But the element (for the SGroup) embedded within the main is not handled properly. I don't think there is an option to bypass this (see obabel -L cml). It seems this issue was recognized but no

[Open Babel] Openbabel to work with optimize command in pymol

Hi I was trying to compile the openbabel (2.4.1) in my mac. both in bash and tcsh the command Cmake is not found. My goal is to use optimize in pymol, for which I need openbabel. Any pointer to solve this? best regards Arnab -

[Open Babel] Conversion : CML to SDF

Hello, We are converting CML files into SDFiles using this command : cmd>obabel example.cml -O example.sdf That works fine. But in a few cases, the conversion is not done. The problem happens when there is data on a atom. For example, In