-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Wolfram, generally you don't need to copy R-free flags. The effect of bias to the initial structure is removed as to refine the new structure properly to convergence. So, don't bother. Best, Tim On Wednesday, June 01, 2016 08:53:57 AM wtempel wrote:
Dear Phenix experts, our project involves crystals *A* and *B*, which are nearly isomorphous and of a protein’s complexes with two different small molecules, respectively. *A* diffracts better than *B*. The r-free flag from *A* was “attached” to *B*‘s input reflections with the CCP4 cad command and is still associated to *B*‘s slightly different cell dimensions. Would/should this be reason enough for refine to throw an error? The error message suggests changing the refinement.input.symmetry_safety_check setting. Can this setting be changed in the GUI? Thank you. Wolfram Tempel
- -- Paul Scherrer Institut Tim Gruene - - persoenlich - OFLC/102 CH-5232 Villigen PSI phone: +41 (0)56 310 5297 GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v2 iD8DBQFXTziuUxlJ7aRr7hoRAv/tAJoCJmlhzoCeVdJRsnt950/nLPnV0QCgrF0E 6jfNl4Sg6c+8P+FFYwKeKtw= =Cztq -----END PGP SIGNATURE-----