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
________________________________________
De : CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] de la part de luzuok
[luzuo...@126.com]
Envoyé : mercredi 29 octobre 2014 13:08
À : CCP4BB@JISCMAIL.AC.UK
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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卢作焜
南开大学新生物站A202
