Re: [ccp4bb] CC work / free

2018-11-09 Thread Clement Degut
Did not knew about that trick ! But I second that a well made script (i.e. not my homemade one) included in software for paired refinement would be a great addition. On Thu, 8 Nov 2018 at 20:13, Georg Mlynek wrote: > Dear Frank, > > pdb_redo webserver does. However you have to cheat to provoke i

Re: [ccp4bb] CC work / free

2018-11-08 Thread Georg Mlynek
Dear Frank, pdb_redo webserver does. However you have to cheat to provoke it: The resolution remark in the PDB has to be 0.10A beyond what it was used before. You can use also use the command line version of pdb-redo to tweak settings for your calculation (the expert option). However it woul

Re: [ccp4bb] CC work / free

2018-11-08 Thread Frank von Delft
Does any refinement software automatically do the CC* resolution exploration ("paired refinement") that Kay did in the original paper?  Now that /would/ be fantastically useful. On 08/11/2018 12:44, Pavel Afonine wrote: Clément, I'm guessing this is because it isn't clear what CCwork/CCfree c

Re: [ccp4bb] CC work / free

2018-11-08 Thread Pavel Afonine
Clément, I'm guessing this is because it isn't clear what CCwork/CCfree can tell you that Rwork/Rfree can not. Needless to say we all more or less have a good idea about what the ok values for Rwork, Rfree and Rfree-Rwork (as function of resolution) while it is much less clear (to me at least) when

Re: [ccp4bb] CC work / free

2018-11-08 Thread Robbie Joosten
@JISCMAIL.AC.UK Subject: [ccp4bb] CC work / free Hi all, This probably have already be discussed, but can't find trace of it : Is there any reason I am not aware of that refinement software (thinking of both phenix and refmac) do not output CC work / free ? We all accepted CC 1/2 for resolutio

[ccp4bb] CC work / free

2018-11-08 Thread Clement Degut
Hi all, This probably have already be discussed, but can't find trace of it : Is there any reason I am not aware of that refinement software (thinking of both phenix and refmac) do not output CC work / free ? We all accepted CC 1/2 for resolution cut (whether it's 30 or 10 %) which tend to lead to