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Hi, I have tried to only refine the sidechains in my model using the simulated annealing with commands strategy=individual_sites sites.individual = "sidechain" However after the refinement the backbone was also moved; any suggestions as how to only allow sidechain movements during the refinement? Thanks, Esmael
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Hi Esmael, - when you run SA it applies to all atoms. It is in my to-do list to make it selection sensitive (it is one of the long standing items to fix); - I'm not sure I understand why don't you like to run it for the whole structure? The way it's working in phenix.refine, I wouldn't expect any harm. If you try you will see it. Pavel. On 5/12/09 9:42 PM, Esmael Haddadian wrote:
Hi, I have tried to only refine the sidechains in my model using the simulated annealing with commands
strategy=individual_sites sites.individual = "sidechain"
However after the refinement the backbone was also moved; any suggestions as how to only allow sidechain movements during the refinement?
Thanks, Esmael _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
participants (2)
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Esmael Haddadian
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Pavel Afonine