-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Yuri et al.,
I like the fact that one must not use the output mtz-file from refmac as input to the next round of refinement. It encourages to think about why this is and then makes you realise what your data really are: the result of data processing and that the coordinate file is only a model which one tries to make as consistent as possible with the data. Tim On 12/11/2011 06:28 AM, Yuri Pompeu wrote: > PHENIX has an otpion under the reflection editor program that will create R > flags that are compatible with ccp4 programs. > Another point worth mentioning is in phenix.refine it is appropriate to use > the data.mtz files generated each round of refinement, as these are the raw > data plus the Rfree flags. In refmac however the newly generated refmacX.mtz > file contains phase info as PHIC calculated from your model. Using this for > subsequent rounds of refinement results in terrific looking maps as they are > now biased (even more so) by the input model. > - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFO5MbDUxlJ7aRr7hoRAqPtAJ97ftne0fQXVPoCMOXZl1fK/AcL9wCfdVvF I3bJWTQdMoPUTyZ4y6idMaQ= =qysO -----END PGP SIGNATURE-----
