Hi Ling, Unfortunately there isn't any manual (or section of the manual) for the bit rendering code and the API documentation is also missing.
There are some blog posts out there with more information: http://rdkit.blogspot.com/2018/10/using-new-fingerprint-bit-rendering-code.html https://iwatobipen.wordpress.com/2018/11/07/visualize-important-features-of-machine-leaning-rdkit/ If you google for the functions you're interested in you will probably find additional resources. I hope this helps, -greg On Fri, Dec 30, 2022 at 6:45 AM Ling Chan <lingtrek...@gmail.com> wrote: > Dear Colleagues, > > Happy New Year! > > I am trying to make some illustrations regarding the meaning of > fingerprint bits. Thanks to Jan Jensen for the tips at the recent post of > https://sourceforge.net/p/rdkit/mailman/message/37734537/ . > > I just wonder if there is any manual for the fingerprint drawing routines? > I only managed to find the page > http://rdkit.org/docs/source/rdkit.Chem.Draw.html . Butt there does not > seem to be much detail there. For example, Jan's example in the above post > would not be described. I wonder what other function arguments are > available. > > Thank you. > > Ling > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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