Dear Tim In principle if a user defines freer flag then refmac knows about that (unless freer flag is 0 then refmac assumes that it is default). In this case (if freer defined by user) then it is not altered.
regards Garib On 25 Jan 2013, at 09:14, Tim Gruene wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > Dear Pavel, dear Garib, > > how do you figure out automatically the correct flag? (I hope both > phenix and refmac will allow to manual overwrite the software's decision) > > Cheers, > Tim > > On 01/24/2013 07:47 PM, Pavel Afonine wrote: >> Hi, >> >> It would be nice if default setting was the same in different >> suites. >> >> >> it's a nice idea of course, but I feel it is impractical as it >> would require changing a lot of software, both modern and legacy. >> However, given array of flags it is algorithmically trivial to >> figure out what is test and work flags. That's what phenix.refine >> have been doing since its beginning (2005). And my understanding >> is that Refmac does this too. As always, there are corner cases >> here, but it's better than nothing. Plus, programs (at least >> phenix.refine, can't speak for others) tell which flag was >> actually used, and they provide option to define the flag value to >> use. >> >> Pavel >> > > - -- > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.12 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFRAkzvUxlJ7aRr7hoRAlVfAKClRD4/JLNDcOab1HjBroQYXND3bQCfegA9 > UiHvuKXg2/b3LqlbPWQpKmY= > =Awum > -----END PGP SIGNATURE----- Dr Garib N Murshudov Group Leader, MRC Laboratory of Molecular Biology Hills Road Cambridge CB2 0QH UK Email: ga...@mrc-lmb.cam.ac.uk Web http://www.mrc-lmb.cam.ac.uk
