Re: [ccp4bb] LINKR in refmac

2009-08-14 Thread Tim Fenn
On Fri, 14 Aug 2009 13:24:16 -0700 Jan Abendroth wrote: > How can I tell refmac to maintain the peptide link? > Here is what I tried - the numbers above just for orientation > > 1 2 3 4 5 6 > 7 8 > 12345678901234567890123456789012345678901

Re: [ccp4bb] LINKR in refmac

2009-08-14 Thread George M. Sheldrick
SHELXL has a nice facility for this that maybe Garib could copy. A residue may have a second (alias) residue number. This was intended for making peptide and other restraints go all the way around a cyclic peptide, but also handles the case of a continuous peptide strand that is missing residue num

[ccp4bb] LINKR in refmac

2009-08-14 Thread Jan Abendroth
Hi all, I am hitting the wall on this one: A disordered loop has been replaced with a short linker, which now is visible in the density. To be consistent, I maintain the original residue numbering and get a gap of residue numbers between the last original residue and the first residue of the loop.

[ccp4bb] LINKR in refmac

2009-08-14 Thread Jan Abendroth
Hi all, I am hitting the wall on this one: A disordered loop has been replaced with a short linker, which now is visible in the density. To be consistent, I maintain the original residue numbering and get a gap of residue numbers between the last original residue and the first residue of the loop.

[ccp4bb] CCP4 at the ECM

2009-08-14 Thread Martyn Winn
Hi all, CCP4 staff, developers, collaborators and assorted hangers-on will be at the ECM in Istanbul from this Sunday. We will have a stand in the Exhibition, where we will be available to help or generally talk to. I am told that we are booth number 34, though at the moment I have no idea where t

[ccp4bb] Practical Course in Biomolecular Modelling

2009-08-14 Thread Patrick Sticher
Dear colleagues, please be informed that online applications are accepted for the following course: 8TH NCCR PRACTICAL COURSE IN BIOMOLECULAR MODELLING January 10 - 15, 2010 Kandersteg, Switzerland http://www.structuralbiology.uzh.ch/course2010.asp Course topics include Simulation techniques

[ccp4bb] Release of Mosflm version 7.0.5 and iMosflm 1.0.3

2009-08-14 Thread harry
You wait months for a release to come along and then two come on the same day! Note that the versions of Mosflm and iMosflm announced here supercede the versions included in CCP4 6.1.2. We are pleased to announce the release of Mosflm (version 7.0.5) and iMosflm (1.0.3). They are now available fr

[ccp4bb] ccp4 6.1.2, ingleborough

2009-08-14 Thread Charles Ballard
Dear All we are pleased to announce the public release of ccp4 version 6.1.2 (ingleborough). This is available from http://www.ccp4.ac.uk/download/downloadman.php (and the ftp site ftp://ftp.ccp4.ac.uk/ccp4/6.1.2 ) with details of changes and updates here http://www.ccp4.ac.uk/html/CHANGE

[ccp4bb] CC beamtime application deadline this saturday

2009-08-14 Thread Banumathi Sankaran
Dear Users, The deadline for October/November/December 2009 Collaborative Crystallography proposals will be August 15, 2009. Thumbnail Description: Through the Collaborative Crystallography Program (CC) at the Advanced Light Source (ALS), scientists can send protein crystals to Berkeley Cent