[Chimera-users] Add-H to water O

Francesco Pietra chiendarret at gmail.com
Wed May 9 09:14:28 PDT 2012

Is it possible with CHIMERA to add-H selectively to O atoms to get
H-bonded water molecules?

I used REDUCE to add-H (-build flag) but was unable to get H2O from O
atoms, although het database is in place.

What I am trying to get is a reasonable H-bonded water for a highly
hydrated protein, before submitting to MD to actually see h-bonding.


francesco pietra

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