Re: [Open Babel] How to draw structure from SMILES?

2019-10-31 Thread Peng Yu
I got the following error. Do you know what is wrong? Thanks. $ obabel '-:C(=O)Cl' -O acidchloride.png == *** Open Babel Error in PNG Format PNG2Format not found. Probably the Cairo library is not loaded. -1 PNG_files converted $ obabel --version No input file or

Re: [Open Babel] How to install pybel?

2019-10-31 Thread Peng Yu
So the documentation https://openbabel.org/docs/dev/UseTheLibrary/Python_PybelAPI.html#pybel-api is outdated? Thanks. On 10/31/19, Geoffrey Hutchison wrote: >> This one does seem to be the same the above one. >> https://pypi.org/project/pybel > > You want: > https://pypi.org/project/openbabel/

Re: [Open Babel] How to draw structure from SMILES?

2019-10-31 Thread Geoffrey Hutchison
> Although there are many online tools (e.g., PubChem sketcher) to draw > structure from SMILES You can generate 2D depictions as mentioned in the docs: https://open-babel.readthedocs.io/en/latest/Depiction/depiction.html

Re: [Open Babel] How to install pybel?

2019-10-31 Thread Geoffrey Hutchison
> This one does seem to be the same the above one. > https://pypi.org/project/pybel You want: https://pypi.org/project/openbabel/ Or: https://anaconda.org/conda-forge/openbabel See

[Open Babel] How to install pybel?

2019-10-31 Thread Peng Yu
Hi, I don't see how to install pybel. https://openbabel.org/docs/dev/UseTheLibrary/Python_PybelAPI.html#pybel-api This one does seem to be the same the above one. https://pypi.org/project/pybel Could anybody let me know how to pybel that works with openbabel? Thanks. -- Regards, Peng

[Open Babel] How to draw structure from SMILES?

2019-10-31 Thread Peng Yu
Hi, Although there are many online tools (e.g., PubChem sketcher) to draw structure from SMILES, I prefer to do so locally sometimes. Could anybody show me what is the best way to do so with openbabel? Thanks. -- Regards, Peng ___ OpenBabel-discuss