Can I do molecular replacement with phenix/phaser, keeping all the waters from the first model from the first data set?
From here ( http://www.phaser.cimr.cam.ac.uk/index.php/Molecular_Replacement#WATER), I should change all the HOH labels to something like WWW. Then I guess that I should put HOH labels again in the solution model, for the following refinement in phenix.refine.
Is that it?... Any suggestions? thanks again!
Dear, unless the water molecules are crucial for the MR solution, you could carry out 'normal' MR and then superpose the original structure onto the solution to also transfer the water molecules. Best, Tim On 05/27/2014 03:50 AM, Murpholino Peligro wrote:
Can I do molecular replacement with phenix/phaser, keeping all the waters from the first model from the first data set?
From here ( http://www.phaser.cimr.cam.ac.uk/index.php/Molecular_Replacement#WATER), I should change all the HOH labels to something like WWW. Then I guess that I should put HOH labels again in the solution model, for the following refinement in phenix.refine.
Is that it?... Any suggestions?
thanks again!
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-- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
okey dokey.
thanks
2014-05-27 2:29 GMT-05:00 Tim Gruene
Dear,
unless the water molecules are crucial for the MR solution, you could carry out 'normal' MR and then superpose the original structure onto the solution to also transfer the water molecules.
Best, Tim
Can I do molecular replacement with phenix/phaser, keeping all the waters from the first model from the first data set?
From here ( http://www.phaser.cimr.cam.ac.uk/index.php/Molecular_Replacement#WATER), I should change all the HOH labels to something like WWW. Then I guess
On 05/27/2014 03:50 AM, Murpholino Peligro wrote: that I
should put HOH labels again in the solution model, for the following refinement in phenix.refine.
Is that it?... Any suggestions?
thanks again!
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen
GPG Key ID = A46BEE1A
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
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Murpholino Peligro -
Tim Gruene