[ccp4bb] AW: [ccp4bb] Stop Refmac from refining B factors?

2007-04-18 Thread Herman . Schreuder
PROTECTED] Im Auftrag von Harry M. Greenblatt Gesendet: Mittwoch, 18. April 2007 14:38 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] Stop Refmac from refining B factors? BSD Dear Eva, You should be refining an overall

Re: [ccp4bb] Stop Refmac from refining B factors?

2007-04-18 Thread Roberto Steiner
On 18 Apr 2007, at 14:39, Eva Kirchner wrote: (But I'm still curious about the B-factor refinement when there is no REFI BREF ISOT in the com-file...) Eva, Refmac internal default is REFI BREF ISOT that's why even if you remove the above line from the com file (or deselect that

Re: [ccp4bb] Stop Refmac from refining B factors?

2007-04-18 Thread Phil Jeffrey
Harry M. Greenblatt wrote: You should be refining an overall temperature factor at that resolution. It's one of the choices in the list, instead of isotropic. I disagree with this. At that (3.2 Angstrom) resolution I've often found than a tightly restrained individual B-factor refinement

Re: [ccp4bb] Stop Refmac from refining B factors?

2007-04-18 Thread Eva Kirchner
Thank you Roberto, I saw that line in the log file, too. So it is as I feared: Refmac cannot be stopped from refining B-factors ;-) Maybe I'll use CNS... Eva 2007/4/18, Roberto Steiner [EMAIL PROTECTED]: On 18 Apr 2007, at 14:39, Eva Kirchner wrote: (But I'm still curious about the

Re: [ccp4bb] Stop Refmac from refining B factors?

2007-04-18 Thread Ethan Merritt
On Wednesday 18 April 2007 07:40, Phil Jeffrey wrote: Harry M. Greenblatt wrote: You should be refining an overall temperature factor at that resolution. It's one of the choices in the list, instead of isotropic. I disagree with this. At that (3.2 Angstrom) resolution I've often