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Questions tagged [openbabel]

OpenBabel is a popular set of tools and a library used to read, write, analyze and modify chemical and biochemical structures.

OpenBabel is a popular set of tools and a library used to read, write, analyze and modify chemical and biochemical structures. Bindings are available for C++ and Python.

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Fingerprinting using python module called pybel

I want to get fingerprints using smiles of compounds. I did but the problem is I want to get in a higher bit and a list format so I can calculate the length of lists. In this case I just get classes. Any solution in python using pybel? I did this…
Gozde Kibar
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C++ program compiles on two different machines. Shared library works properly on one. On the other, class-methods return NULL

I'm trying to write some programs using the openbabel libraries, one of which is a simple program to extract data from an sdf file. But one of the functions I have FormatFromExt is not working. The function call returns NULL no matter what input…
kjh
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What is a python field relative to other Python-based language constructs?

I'm using the Python OpenBabel package (https://openbabel.org/docs/current/UseTheLibrary/PythonDoc.html) and stepping through my code using the PyCharm IDE. I'm running into a problem, but I must understand the terminology used in PyCharm and the…
Anthony Nash
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Install Open Babel in Ubuntu

How do I Install openbabel (3.1.1) in ubuntu using github repository?
Deepak Kumar Sachan
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