Re: [ccp4bb] imosflm conflict with mosflm (OS X/fink 32-bit)

2010-07-06 Thread Engin Özkan
Thanks for clearing that. Setting the mosflm executable to the ccp4 version, in combination with either the fink or the system wish, gives a nicely working imosflm. And thanks for the fink packages... Engin On 7/6/10 6:36 AM, William G. Scott wrote: Remove both. On OS X, 10.6, imosflm uses

Re: [ccp4bb] R values are higher in SF-CHECK

2010-07-06 Thread Pavel Afonine
Hi Rakesh, providing everything else is good about your PDB file (for example, no post-refinement manipulations done to the model), phenix.model_vs_data should reproduce the R-factors, since it accounts for TLS (both, PHENIX or REFMAC formatted), it does the advanced bulk-solvent and anisotro

Re: [ccp4bb] R values are higher in SF-CHECK

2010-07-06 Thread Dirk Kostrewa
Hello Rakesh, yes, you are right. In contrast to all modern refinement programs, sfcheck neither applies TLS nor the superior mask bulk solvent correction (it applies the Babinet bulk solvent correction by double-exponential scaling). As a result, the R-factors from sfcheck are higher than t

[ccp4bb] R values are higher in SF-CHECK

2010-07-06 Thread Rakesh Joshi
Hello, I refined my structures using REFMAC5 ( using TLS in combination ). When i used the SF-Check program, my R-values are ~5% higher than in those reported by refmac. Is this due to the fact that SF-check does bulk solvent calculations differently and does not account for TLS refinement? A

[ccp4bb] post-doctoral position

2010-07-06 Thread Steve Bruner
POSTDOCTORAL POSITION IN PROTEIN CRYSTALLOGRAPHY A funded postdoctoral position is available at the University of Florida in protein X-ray crystallography. The area of research is the structural biology of natural product antibiotic biosynthesis with a focus on unique enzymology and macromolecu

Re: [ccp4bb] Postdoctoral position in Houston

2010-07-06 Thread RaDaniel Christian 성준
I just want to bump this message up once more. On Thu, Jun 24, 2010 at 6:21 PM, RaDaniel Christian 성준 wrote: > Dear all, > > A position has become available for a Post-doctoral Refsearch Fellow > in the Department of Pharmacology, at Baylor College of Medicine in > Houston. The focus of our work

Re: [ccp4bb] imosflm conflict with mosflm (OS X/fink 32-bit)

2010-07-06 Thread William G. Scott
Dear Harry et al: I'm sorry, I've been immersed in grant renewal/resubmission hell. I obviously screwed something up in a rush. Briefly, if you have 10.6.X, ccp4 and OS X have everything you need for a nice, fully-functioning OS X aqua imosflm gui. Bill PS: The 64-bit ccp4 and mosflm work gr

Re: [ccp4bb] imosflm conflict with mosflm (OS X/fink 32-bit)

2010-07-06 Thread William G. Scott
Remove both. On OS X, 10.6, imosflm uses the tcl/tk supplied with OS X, and the latest mosflm is in ccp4, so there is no need for any of that. Just use what is in ccp4. Sorry for this. On Jul 5, 2010, at 4:34 PM, Engin Özkan wrote: > Hi everybody, > > I was doing a regular fink update (OS X

Re: [ccp4bb] Elspeth Garman's husband

2010-07-06 Thread Prince, D Bryan
My most sincere and heartfelt condolences to Elspeth and her family. May they find peace of mind and strength of heart during this most difficult time. Kind regards, Bryan Prince On Jul 3, 2010, at 6:28 AM, Frank von Delft wrote: > Dear all > > Last night, John Barnett, physicist and husband

Re: [ccp4bb] imosflm conflict with mosflm (OS X/fink 32-bit)

2010-07-06 Thread Harry Powell
Hi Engin This is almost certainly a Bill Scott issue, so you'll have to wait until he reads his e-mail this morning! Unfortunately, the Mosflm developers (i.e. me) have no experience of setting Fink dependencies so we can't help you. We don't use Fink for our distros of iMosflm and Mosflm, and