In fact

� � � �anisotropic = "chain a"
� � � �anisotropic = "chain f"
� � � �anisotropic = "chain Y"
� � � �anisotropic = "chain T"
� � � �anisotropic = "chain U"

� � � �anisotropic = "chain z"
� � � �anisotropic = "chain d"
� � � �anisotropic = "chain g"
� � � �anisotropic = "chain e"
� � � �anisotropic = "chain V"
� � � �anisotropic = "chain X"

� � � �anisotropic = "chain n"

in this particular case it is equivalent to 

anisotropic = "(chain a) or (chain f) or (chain Y) or (chain Y) or (chain U)"

(and so on.)

However, when depositing to PDB please keep eye to make sure they do not capitalize the chain ids - otherwise it will be disastrous.

Also, in this particular case selecting it visually could be painful.

Pavel.


On Thu, Jan 6, 2011 at 11:50 AM, Christian Roth <[email protected]> wrote:
Dear all,

I want refine a structure with several chlorides and want refine these chlorides
anisotropic. I use the GUI for the setup and manipulate the eff file just before
it starts. To my surprise my constrained group definitions are used, but my
anistropic refinement definitions are removed I incorporated it as followed:
�adp {
� � �individual {
� � � �isotropic = None
� � � �anisotropic = "chain a"
� � � �anisotropic = "chain f"
� � � �anisotropic = "chain Y"
� � � �anisotropic = "chain T"
� � � �anisotropic = "chain U"
� � � �anisotropic = "chain z"
� � � �anisotropic = "chain d"
� � � �anisotropic = "chain g"
� � � �anisotropic = "chain e"
� � � �anisotropic = "chain V"
� � � �anisotropic = "chain X"
� � � �anisotropic = "chain n"
� � �}
but in the log the following is stated:
adp {
� � �individual {
� � � �anisotropic = "chain a"
� � �}
Why are all the other definitions gone? And if I defined it wrong, how I have to
define it correctly?
The current version I use is 1.6.4-486

Thanks

Christian
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