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PostPosted: Mon Nov 21, 2011 8:46 am 
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What is the easiest way to recover complete pdb-file from the flexible docking output?
In other words, how one can reunite flexible and rigid parts of the receptor without copying and pasting of atomic coordinates manually?
Thx


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PostPosted: Fri Mar 16, 2012 12:41 pm 
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I would like to know too. I want to continue studying the docked pose with MD, but cant find an easy solution to merging the flexible sidechains back onto the rigid part of the receptor. I guess I can get the coordinates of the sidechains from the flexible sidechains and apply them to the original pdb-file with some kind of custom script, but if anyone know of a simple trick, I will be glad to know.


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