On 10/13/2016 12:12 PM, Paul Emsley wrote:

> Are you sure? I use HasSubstrMatch to match hydrogens.

Perhaps this
may be useful?

If OP's looking at crystal structures, they're likely dealing with pdb
data model where all hydrogens are explicitly present and indexed. I
wonder if they stay that way throughout the steps leading to (and past)
the smarts match.

Dimitri Maziuk
BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu

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