Hello, Is it possible to define my own SMARTS pattern for calculating numerical descriptors via the command line? For example, to calculate the number of aromatic bonds, I am using append like this:
>> obabel aspirin.sdf -osmi --append abonds https://open-babel.readthedocs.io/en/latest/Descriptors/descriptors.html Is it possible to append with a user defined SMARTS pattern, such as count number of carboxylic acids? ([CX3](=O)[OX2H1]) Thanks! Vin Scalfani
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