Increase the number of allowed clashes in Phaser, and examine the resulting solution in Coot to see if (1) electron density is reasonable, and (2) molecular packing is reasonable. It is very common that a search model has some surface loops in alternate locations compared to your target that generate the clashes. These loops can be deleted in your search model if desired, or, if you have sufficient data quality, you can try using the initial phases obtained to autobuild the target. _______________________________________ Roger S. Rowlett Gordon & Dorothy Kline Professor Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: [email protected] On 7/2/2015 8:55 AM, Almudena Ponce Salvatierra wrote:
Hi everyone,
I am running Phaser (from Phenix) and while checking the .log file (it is still running) I realize that it found some solutions with a TFZ score over 7, but it won't take them I guess because the number of clashes is higher than allowed (>12, I guess they're not so many either).
My models are poor and for so I would like to check these solutions that for now Phaser will reject. However in the input I don't want to increase the allowed number of clashes because this will then affect all the other solutions and this will take forever...
So my question is: can I tell phaser somehow to write down/save the solutions for which the TFZ score will be higher than 7? Even though the clashes
Thanks a lot in advance
All the best,
Almu
-- Almudena Ponce-Salvatierra Macromolecular crystallography and Nucleic acid chemistry Max Planck Institute for Biophysical Chemistry Am Fassberg 11 37077 Göttingen Germany
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