[ccp4bb] CCP4 summer webnewsletter deadline is near.

Dear users and developers, I would like to inform everyone who planned to submit an article that the deadline for submission is approaching (by the end of next week). Best Regards Francois Remacle CCP4

Re: [ccp4bb] Problems in refinement with NCS and B-values

If you have used TLS the B factors listed for the residues are the residual values AFTER the TLS is applied so they are correctly restrained to be quite close - the differences in the molecules should be expressed in the hard-to-visualise TLS parameters. The first check is to run TLSANL and

Re: [ccp4bb] low b factors

Are you using TLS? If so the B factors in the PDB file are relative to the TLS parameters.. Or have you lost low resolution data - you can see that in many plots - one in REFMAC gives F v Fcalc as a function of resolution? If so you probably need to use SCALE SIMPLE - in gfact that is

[ccp4bb] Job advert: Postdoctoral and PhD student posts at the University of Leuven, Belgium

1. A postdoctoral position is available to work with Prof. Sergei Strelkov in the Laboratory for Biocrystallography, Department of Pharmaceutical Sciences, Catholic University of Leuven. The successful candidate should have considerable experience in protein crystallography, especially

Re: [ccp4bb] phenix mtz to ccp4 mtz conversion

REFMAC expects F not I so you need to convert the file.. You will need to run TRUNCATE to convert I to F or the GUI task under Data processing Eleanor John Bruning wrote: Hi, I have an mtz file from Phenix I am trying to convert for use in Refmac. The labels are currently: H K L

[ccp4bb] Stereo Glasses.

Hi All, Has anyone tried the stereo glasses from eDimensional? http://edimensional.com/product_info.php?cPath=21products_id=28 If so do the work for coot? They seem very cheep. Thanks, Alun. Dr. Alun R. Coker University of Southampton, School of Biological Sciences, Bassett Crescent East,

[ccp4bb] TLS refinement

hello- i am refining a structure with six copies of a complex (one dimer and one monomer) in the asu. the output of the TLSMD server suggests to me that i should use six TLS groups for each protomer in the dimer and four TLS groups for the monomer. when i ran REFMAC, however, i an

[ccp4bb] Wincoot 0.3.3(Zeta) crash help

Hi, I just installed this new version, excited! However, when I tried to open my phs file generated from SHELXPRO (use Write Xtalview map coefficients, then choose Fourier type 2Fo-Fc, and choose no to Apply sharpening), same problem came again as in older coot. coot complained : .phs files

Re: [ccp4bb] High Wilson B

Hi Mike, To my limited understanding, it is hard to get an accurate Wilson estimate for data below 3Ang (am I right??!). To me, the B-factor you list doesn't sound bad although some folks might holler 'Bloody Murder' when I say so. I have a structure to 3.7Ang (I'd have liked higher resolution

[ccp4bb] High Wilson B

Dear colleagues, I have a B of 75A**2 from Wilson statistics 4.7 to 3 A res, good straight line. Has anyone seen a B so high in Wilson statistics? ( I understand that it is best to have higher res but I do not). Thanks. Mike Colaneri

Re: [ccp4bb] Problem installing coot with FINK

Hi Kendall: I have this installed: zsh-% fink list libpng3-shlibs Information about 7316 packages read in 2 seconds. i libpng3-shlibs 1:1.2.18-1 Shared libraries for libpng3 package so be sure it (the libpng3 package) is updated to that version. Bill Kendall Nettles

Re: [ccp4bb] TLS refinement

Hi, phenix.refine allows unlimited number of TLS groups of any size. More : general info: http://www.phenix-online.org/ refinement info: http://www.phenix-online.org/download/cci_apps/ (click Documentation or QuickFacts right next to phenix.refine link). or write me back with your

[ccp4bb] Problem installing coot with FINK

I installed Coot 0.3.3-3 from the Binary: Reading Package Lists... Building Dependency Tree... The following extra packages will be installed: coot-shlibs The following NEW packages will be installed: coot 1 packages upgraded, 1 newly installed, 0 to remove and 67 not upgraded. Need to get