[ccp4bb] CCP4 study weekend, end of early registration period.

Dear Colleagues Please note the following important deadlines for the CCP4 Study Weekend, which will be held at Leeds University from the 3rd-5th January 2008... (1) EARLY REGISTRATION FEES - the deadline for the first tier of registrations for the Study Weekend is MONDAY 15th OCTOBER. I

Re: [ccp4bb] atomic FF used in SFALL

In fact by default SFALL uses a grid of 0.5A or less even for low resln data - this is because the atomic spread id limited to 2.%A by default, so an atom can sort of fall through the grid if it is too coarse. Eleanor FFTs are so fast that the time for most cells is pretty insignificant..

Re: [ccp4bb] XDS.INP for BNL X29A

Agnes Rinaldo-Matthis wrote: Dear all, I wonder if anyone has a XDS.INP file for the beamline X29A at Brookhaven National Lab? I collected the data March 2007, ADSC Quantum 315 detector, and cannot process the data with other programs. I asked the beamline scientists and they don´t appear to

[ccp4bb] Postdoctoral position

POSTDOCTORAL POSITION - Euro-laminopathies Network - "Nuclear Envelope-linked Rare Human Diseases: From Molecular Pathophysiology towards Clinical Applications" This is a Specific Targeted Research Project within the EU's 6th Framework Programme, which brings together

[ccp4bb] XDS.INP for BNL X29A

Dear all, I wonder if anyone has a XDS.INP file for the beamline X29A at Brookhaven National Lab? I collected the data March 2007, ADSC Quantum 315 detector, and cannot process the data with other programs. I asked the beamline scientists and they don´t appear to have it. Thanks, Agnes

[ccp4bb] Ketone inhibitors

Hi all I have searched the PDB without much luck and wondered whether anyone out there could confirm: I'm looking for co-crystal structures of enzymes with inhibitors that bind to the catalytic group via a ketone moiety. Our case is a metalloprotease with a ketomethylene peptide analogue bu

[ccp4bb] ccp4 webserver and ftp site down for maintenance

Dear All This is a reminder that the CCP4 webserver and ftp site will be going down for essential maintenance to be carried out on the server room They will go off line at 4pm BST (3 pm GMT). Charles Ballard

Re: [ccp4bb] Ketone inhibitors

Here's a Cathepsin K family of inhibitors with a straight ketone: Bioorganic & Medicinal Chemistry Letters Volume 17, Issue 1, 1 January 2007, Pages 22-27 and here's a structure paper (covalent adduct with the ketone) www.jbc.org/cgi/reprint/266/26/17695.pdf Here's a couple of Cruzain structures

Re: [ccp4bb] XDS.INP for BNL X29A

The XDS-ADSC.INP template that is distributed with the XDS documentation can be used with the Q315 detector (e.g. http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_prepare.html). There are usually only very few changes to be made to the template. Do you have problems with a specific