Dear Lu,
one simple solution is to remove the water molecules with text editor for example. It depend of how-many times you have multiply water molecules and if your model have several or more water molecules.
In coot you can remove it graphically, but according to my knowledge not automatically, and it maybe time consuming.
Hope to help
Nicolas
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De : CCP4 bulletin board [[log in to unmask]] de la part de luzuok [[log in to unmask]]
Envoyé : mercredi 29 octobre 2014 13:08
À : [log in to unmask]
Objet : [ccp4bb] water at the same exactly position
Dear all,
I found that there are some water molecules in my pdb that share the same position. This maybe cause by merging molecules in coot. It seems that I have mereged water molecules into my protein for more than one time.
Does anyone tell me how to fix this problem?
Best regards!
Lu Zuokun
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南开大学新生物站A202
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