Wednesday, 25 January 2012

on water picking

From: Dialing Pretty
Date: 6 January 2012 10:05


 Dear All,
 
Will you please tell me which program can process water picking by only selecting those clashing with the protein atoms less than 0.4 A?
 
Cheers,
 
Dialing

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From: ccp4


I am not sure what you mean by clashing at 0.4A - such a site must mean
something is wrong.

coot will select resasonable waters for you - it is very conservative.

refmac and other software lists clashes and you should do something about
them - move protein - delete water - worry!

Eleanor


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