-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Demetres,
does this affect all atoms, or only a few selected ones? Did you compare with refmac5 (for e.g. input script errors), or did you reset the B-factors to a reasonable value (e.g. 20-30) prior to refinement? pdbset can do this conveniently. Best, Tim On 11/02/2012 11:06 AM, Demetres D. Leonidas wrote: > Hello, > > I am experiencing a weird problem with B factor refinement > (individual, isotropic) in phenix.refine (1.8.1.-1168) and a > structure at 1.9 A resolution. The ADP values after the refinement > are very very low, less than 2 and sometimes 0. I am getting the > same result with and without optimization of the X-ray/ADP weight. > Has anyone else noticed that and is there a workaround ? > > Demetres > - -- 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/ iD8DBQFQk6+vUxlJ7aRr7hoRAvCZAKDxzmLYV74HKanTuoNiqLEu6AmlRwCgkVQs Q+SZVN6ISb0X38ZekG119/s= =xKhB -----END PGP SIGNATURE-----
