Re: [ccp4bb] Sharp: Solomon density modification step

2015-01-27 Thread Frank von Delft
Clemens - what do you mean by "correcting anisostropy"? On 28/01/2015 07:42, Clemens Vonrhein wrote: Dear Nicolas, On Mon, Jan 26, 2015 at 03:21:00PM +, Nicolas Soler wrote: A quick question regarding the density modification interface via the Sharp interface. Which resolution range / radi

Re: [ccp4bb] Sharp: Solomon density modification step

2015-01-27 Thread Clemens Vonrhein
Dear Nicolas, On Mon, Jan 26, 2015 at 03:21:00PM +, Nicolas Soler wrote: > A quick question regarding the density modification interface via > the Sharp interface. Which resolution range / radius of the solvent > sphere/ ncycles should be used for optimal result? I usually don't play around a

[ccp4bb] 5th edition of the ISBC2015

2015-01-27 Thread Jose A. Gavira
Dear Colleague, The Laboratory of Crystallographic Studies is pleased to announce the 5th International School on Biological Crystallization (ISBC2015), to be held in Granada (Spain) during May 24-29, 2015. ISBC2015 is intended for postgraduate/postdoctoral students and research scientists from

Re: [ccp4bb] changing chain type in coot from RNA to DNA and viceversa

2015-01-27 Thread Paul Emsley
I would try some sort of multi replace residue: by hand the function is at Extensions -> Modelling -> Replace Residue Paul. On 26/01/15 09:59, Almudena Ponce Salvatierra wrote: Hi Robbie, thanks a lot. I was suspecting that editing the PDB was probably the easiest way to go. I will try that!

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Pavel Afonine
Isn't it simply FSC? Then according to Wikipedia the citation goes back even further, 1986 ! Pavel On Tue, Jan 27, 2015 at 2:06 PM, Randy Read wrote: > Hi, > > Bart Hazes' sftools program does map correlation in resolution shells in > this way, and may even have been doing it before 1996 if I'm

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Randy Read
Hi, Bart Hazes' sftools program does map correlation in resolution shells in this way, and may even have been doing it before 1996 if I'm remembering correctly. Randy On 27 Jan 2015, at 21:12, Alexandre OURJOUMTSEV wrote: > Dear Phil, > > Gerard Bricogne pointed out a long time ago that the

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Alexandre OURJOUMTSEV
Dear Phil, Gerard Bricogne pointed out a long time ago that the clearest comparison between two sets of phases is the complex correlation coefficient between two "best" structure factors ( m F exp(i phi) ) - this is equivalent to map correlation, but can be analysed in resolution bins. I'm not

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Phil Evans
On 27 Jan 2015, at 20:25, James Holton wrote: … snip > Now you can ask questions about the phase shift. The problem with phases is > that the phase of weak reflections doesn't really matter because they don't > contribute to the map. Also, poorly-measured phases get low FOM weights in > map

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread James Holton
The papers you are looking for are: Crick FHC & Magdoff BS (1956)."The theory of the method of isomorphous replacement for protein crystals. I", Acta Crystallogr. 9, 901-908. http://dx.doi.org/10.1107/S0365110X56002552 Magdoff BS & Crick FHC (1955)."Ribonuclease II. Accuracy of measurement and

Re: [ccp4bb] PHASER MR solution

2015-01-27 Thread jeorgemarley thomas
Thank you so much to all for your kind concern. Jeorge On Mon, Jan 26, 2015 at 5:55 PM, Kay Diederichs < kay.diederi...@uni-konstanz.de> wrote: > Dear Jeorge, > > you'll find some information about this in > http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Space_group_determination >

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Eleanor Dodson
Obviously it depends on degree of isomorphism - the Riso plot from SCALEPACK gives you a measure.. It would be hard to sort out phase change due to non-isomorphism v phase change from error - in measurements, substructure, etc But a practical guide - when doing phase extension from a SAD set of p

[ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Frank von Delft
Hi all - anybody know the answer, or can tell me where to look: Regarding that oft-stated rule-of-thumb from the 60s (Blow? Crick?), that a 1% change in cell parameters causes a 3% change in intensities: is there an equivalent statement to be made about how phases change with increasing non-i