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Refmac should perform the anti-bumping by default... if still the
water molecule are getting close together it is also possible that
indeed you modeled as water (oxygen) two (or few atoms ?) that indeed
belongs to the same molecule, hence the at
Well - it happens by default. Do not wantt to tighten the restraint?
Eleanor
Kristof Van Hecke wrote:
Dear,
I was wondering what is the best method for applying 'anti-bumping'
restraints in Refmac?
(e.g. for preventing some specific water molecules coming too close to
each other)
Many thank
Dear,
I was wondering what is the best method for applying 'anti-bumping'
restraints in Refmac?
(e.g. for preventing some specific water molecules coming too close
to each other)
Many thanks
Greetings
Kristof
--
Kristof Van Hecke, PhD
Biomoleculaire
