Dear Nicolas,
It is really time-consuming! Philip told me to run the structure on PDB
validation server. It will post error if there is duplicate molecules. Then I
can directly find them on a text editor.
I think it is better for COOT to solve this issue.
Best reagards!
Lu zuokun
--
卢作焜
南开大学新生物站A202
在 2014-10-29 22:29:35，"FOOS Nicolas" <[email protected]> 写道：
>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 [[email protected]] de la part de luzuok
>[[email protected]]
>Envoyé : mercredi 29 octobre 2014 13:08
>À : [email protected]
>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
>
>
>
>
>--
>卢作焜
>南开大学新生物站A202
>
