Re: [ccp4bb] Refmac and B factors

2007-05-10 Thread Roger Rowlett
CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Kolstoe S.E. Sent: Thursday, May 10, 2007 5:09 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Refmac and B factors Thanks very much for the replies, and especially for the link t

Re: [ccp4bb] CCP4 GUI (was:RE: [ccp4bb] Refmac and B factors)

2007-05-10 Thread Nave, C (Colin)
Hoedemaeker Sent: 10 May 2007 10:21 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] CCP4 GUI (was:RE: [ccp4bb] Refmac and B factors) Hi Simon, Well, X-ray crystallography nowadays often, but certainly not always, amounts to running a set of programs with default settings with a few mouse clicks in t

[ccp4bb] CCP4 GUI (was:RE: [ccp4bb] Refmac and B factors)

2007-05-10 Thread Flip Hoedemaeker
To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Refmac and B factors Thanks very much for the replies, and especially for the link to the previous thread on this topic (Eva). Just a comment about the ccp4i GUI in general - pretty much all the students in my department are slowly becoming dependant

Re: [ccp4bb] Refmac and B factors

2007-05-10 Thread Kolstoe S.E.
MAIL.AC.UK Subject: Re: [ccp4bb] Refmac and B factors Hi Simon, you can't stop it - I asked the same question (with some more questions) some weeks ago. You can find the original email and the tips I got for not-so-good resolution B-factor refinement here: http://www.mail-archive.com/ccp4bb

Re: [ccp4bb] Refmac and B factors

2007-05-10 Thread Flip Hoedemaeker
Yes, it is available in the GUI... Flip -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Peter Adrian Meyer Sent: Wednesday, May 09, 2007 23:28 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Refmac and B factors Simon, REFI BREF OVERALL should do

Re: [ccp4bb] Refmac and B factors

2007-05-09 Thread Peter Adrian Meyer
Simon, REFI BREF OVERALL should do something close to what you're looking for (it will refine a single B-factor for the entire model, but there shouldn't be variation within the model). Not sure where (or if) this is in the gui, however. Pete > > Dear all, > > I have a structure at fairly low r

Re: [ccp4bb] Refmac and B factors

2007-05-09 Thread Eva Kirchner
Hi Simon, you can't stop it - I asked the same question (with some more questions) some weeks ago. You can find the original email and the tips I got for not-so-good resolution B-factor refinement here: http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg01224.html Good luck, Eva 2007/5/9, K

[ccp4bb] Refmac and B factors

2007-05-09 Thread Kolstoe S.E.
Dear all, I have a structure at fairly low resolution that I am trying to refine with Refmac. I do not want to refine B factors so have arbitrarily set them all to 20 and then run refmac in the ccp4i GUI after deselecting the "refine temperature factors" box. However, when I look at the resultin