Re: [ccp4bb] Pseudo-merohedral twinning and Molecular replacement

2007-10-30 Thread Bryan W. Lepore
On Mon, 29 Oct 2007, Iain Kerr wrote: The cumulative intensity distribution plot from crystal A did suggest partial twinning (attached, doesn't look too bad though..) notwithstanding other plots/statistics, does the cum. intens. dist. plot (e.g. from truncate) really show a continuum from untw

[ccp4bb] Crystal Screens

2007-10-30 Thread Ray Changrui Lu
Hello all, I am forwarding this email as requested by a lab member due to technical difficulties in school mail accounts. Ray >Hello, > >I usually try out Hampton crystal screen I & II, and PEG/ion screens >on my proteins, sometimes varying protein concentrations and >incubation temperature.

[ccp4bb] Postdoc in Structure-Based Drug Discovery/High-Throughput Crystallography

2007-10-30 Thread Rob van Montfort
Postdoctoral Training Fellow - Structure-Based Drug Discovery/High- Throughput Crystallography Institute of Cancer research Structure-Based Drug Design Group Section of Structural Biology/Centre of Cancer Therapeutics (Chelsea, London & Sutton, Surrey) The Institute of Cancer Research is one

Re: [ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4 and CCP4 6.0.1

2007-10-30 Thread Justin Schmitz
Seems this does it!! Sorry for the multiple copies of my email! Thank you, Justin Winter, G (Graeme) schrieb: Hi Justin, Try exporting GFORTRAN_UNBUFFERED_ALL = 1 Cheers, Graeme _ From: CCP4 bulletin board on behalf of Justin Schmitz Sent: Mon 29/10/2007 12:11 PM To: CCP4BB@JI

Re: [ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4 and CCP4 6.0.1

2007-10-30 Thread Claus Flensburg
Hi Justin, On Mon, Oct 29, 2007 at 01:11:54PM +0100, Justin Schmitz wrote: > Hello All! > > I have a problem with the output there from CCP4 into the log files on a > dual-Core Intel Mac with Os X Server 10.4 and CCP4 6.0.1. > > > ATREF X ALL Y ALL Z ALL OCC ALL AOCC ALL B ALL > ATOM13 Ano

Re: [ccp4bb] Pseudo-merohedral twinning and Molecular replacement

2007-10-30 Thread Eleanor Dodson
Well - the wilson plots only indicate ice rings - they dont tell much about twinning, except that I would prob restrict the tests to exclude the suspect data. ( use resolution range low - to 3.5 for one, low - 2.4 for the other or some such..) The moments are the best indicators providing th

Re: [ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4 and CCP4 6.0.1

2007-10-30 Thread Winter, G (Graeme)
Hi Justin, Try exporting GFORTRAN_UNBUFFERED_ALL = 1 Cheers, Graeme From: CCP4 bulletin board on behalf of Justin Schmitz Sent: Mon 29/10/2007 12:11 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4

Re: [ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4 and CCP4 6.0.1

2007-10-30 Thread Charles Ballard
Hi Justin is this a self compiled ccp4? Did you use gfortran? If so, it is a known problem. From the online problems pages CCP4i scripts fail due to parsing errors in log files Date : 22/05/2006 CCP4 Version : 6.0.0 and others System : Compilations that used gfortran Level : Serious Status

Re: [ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4 and CCP4 6.0.1

2007-10-30 Thread Martyn Winn
IIUC this is the problem of different flushing of C and Fortran code, leading to the output appearing out of order. For Linux you need to set "export GFORTRAN_UNBUFFERED_ALL=Y" i.e. put this in .bashrc or similar. I don't do Macs, but I assume there is something similar . HTH Martyn On Mon

[ccp4bb] EMBL Grenoble Staff Scientist : New SAXS Beamline on ID14-EH3 at the ESRF

2007-10-30 Thread Stephen Cusack
EMBL Grenoble Staff Scientist : New SAXS Beamline on ID14-EH3 at the ESRF Job description: A scientist is required to join a team within the Partnership for Structural Biology (EMBL, ESRF, ILL and IBS, http://psb.esrf.fr/) which is establishing a unique and integrated SAXS-SANS platform, makin