Re: [ccp4bb] problems in Rfree-flags when refining with REFMAC and processing with STARANISO

2022-07-13 Thread Vera Pfanzagl
already looks completely different and does not seem to want external processing files. >>> Clemens Vonrhein 07/12/22 2:50 PM >>> Dear Vera, On Tue, Jul 12, 2022 at 02:04:51PM +0200, Vera Pfanzagl wrote: > >> What I initially did not know is that REFMAC and ST

Re: [ccp4bb] problems in Rfree-flags when refining with REFMAC and processing with STARANISO

2022-07-12 Thread Vera Pfanzagl
resulting R/Rfree will not be decoupled you >would have trouble reporting/depositing such a result as well ;-) Yeah, i realize that now as well =) also this is exactly what happened. cheers again >>> Clemens Vonrhein 07/11/22 7:08 PM >>> Hi Vera, On Mon, Jul 11, 202

Re: [ccp4bb] [EXTERNAL] [ccp4bb] problems in Rfree-flags when refining with REFMAC and processing with STARANISO

2022-07-11 Thread Vera Pfanzagl
t the mmcif format is compatible with the PDB. Sometimes older versions of the software will give you that type of error. Good luck, Joao From: CCP4 bulletin board On Behalf Of Vera Pfanzagl Sent: Monday, July 11, 2022 10:52 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [EXTERNAL]

[ccp4bb] problems in Rfree-flags when refining with REFMAC and processing with STARANISO

2022-07-11 Thread Vera Pfanzagl
Hello, I am trying to get a structure with a bit of a history in terms of programs I have used into a deposit-able form. However I have massif problems with the mtz labels, specifically the Rfree flags and cannot figure out where my problem is derived from. Specifically I have collected