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All current buried volume descriptors exclude hydrogens. It might be interesting to analyse the ones including the hydrogens too since this might be of significance to some structures.
For every buried volume we can add an extra entry e.g. buried_volume_including_hs_donor_max
The text was updated successfully, but these errors were encountered:
All current buried volume descriptors exclude hydrogens. It might be interesting to analyse the ones including the hydrogens too since this might be of significance to some structures.
For every buried volume we can add an extra entry e.g. buried_volume_including_hs_donor_max
The text was updated successfully, but these errors were encountered: