[phenixbb] r_free_flags.export_for_ccp4 option of iotbx.reflection_file_editor

Keitaro Yamashita yamashita at castor.sci.hokudai.ac.jp
Fri Mar 25 23:08:33 PDT 2011

Dear Nat,

> Good point - this does not appear to be difficult to change, so I will
> do this now.

I'm very happy to hear it. Thank you for your consideration.

As Pavel said, converting flag convention is dirty work, but I think
it's sometimes useful.
(For some programs which assume ccp4 freeR-flag convention)

So I hope this function will be maintained.

> I suspect (I hope) that the flag value completion in CCP4 will only
> look at the %free, not the counts of all values,

Reading the manual of freerflag (ccp4 program), I found this description:
"The fraction of data per bin is taken from the highest value of the
freeR flag" when completing existing freeR flags.

> That said, we recommend using Phenix
> to extend existing flags anyway, because Phenix will take lattice
> symmetry into account by default, preventing twinning-related bias
> problems.

Yes, this is very helpful!



More information about the phenixbb mailing list