Author Topic: adding a fragment that is not in the predefined one  (Read 2771 times)

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Offline Cyrille

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Dear all

I am dealing with a molecular network and my favorite chemist colleague told me that to stabilize my network I should add some water molecules.
I recently discovered the vnl tool for adding atoms and predefined fragment but unfortunately I did not find the water molecule.
Is there a way to include H2O among the predefined fragments?

thanks in advance

Cyrille

Offline Anders Blom

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Re: adding a fragment that is not in the predefined one
« Reply #1 on: June 16, 2016, 01:25 »
Oxygen (SP3) is water :)

Offline Cyrille

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Re: adding a fragment that is not in the predefined one
« Reply #2 on: June 16, 2016, 09:31 »
Great! I need to improve my chemistry:-)

Cyrille