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Error message: name 'load' is not defined #79
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Hi @1980whisky, thank you for your interest in In order to use The reason for not providing OpenBabel or RDKit is that they are relatively heavy dependencies, and I'll try to make the documentation clearer, and I'll see if I can raise a better error message, which is definitely needed! Apologies for the inconvenience. |
PR #81 will add a proper error message if neither RDKit nor OpenBabel are found. |
Thank you for your response. The problem has been fixed. |
No problem @1980whisky, I'm glad it's solved. |
Hello,
I am using spyrmsd to compute the RMSD between two mol2 structures. The installation was carried out as instructed. When I type:
python3 -m spyrmsd -h
, the help message appears as it is supposed to, so I think there's no problem till this point.However, when I type the command line to compare two mol2 files as follows:
python3 -m spyrmsd xxx.mol2 yyy.mol2
, an error message appears:The job is not done. Could you please verify this problem? Thank you in advance.
Regards,
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