Re: [ccp4bb] dmmulti cross-crystal averaging question

2012-09-21 Thread Francis E Reyes
The domain common to both crystals constitutes the averaging mask. (you can make it around the pdb using ncsmask). As for describing it to dmmulti, you need the rotation matrix which maps it from crystal 1 to crystal 2. The rotation matrix for crystal one is always the identity matrix. You wi

[ccp4bb] dmmulti cross-crystal averaging question

2012-09-21 Thread Garboczi, David (NIH/NIAID) [E]
We are working with two crystals. Both crystals have a domain that is not in the other. Both crystals have one domain that is the same in each. We'd like the average the one domain between the crystals, but leave the other domains unaveraged. How do we describe that to dmmulti? thanks, Dave

[ccp4bb] Post-doctoral Position in Structural Biology

2012-09-21 Thread Rossmann, Michael G
Post-doctoral Position in Structural Biology A post-doctoral position is available for a person with experience in protein or virus crystallography. Some experience in electron microscopy would be desirable but not essential. The work of the laboratory centers on the structure and f

[ccp4bb] CCP4 update

2012-09-21 Thread David Waterman
Dear CCP4 Users, A CCP4 update has just been released, consisting of the following changes. For Linux and Mac: - *areaimol*: fixed segmentation fault due to a bug in dynamic memory allocation - *cprodrg*: HETATM notations synchronised with refmac - *ccp4i*: fixes in refmac harvesting

Re: [ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread Edwin Pozharski
If you are looking for reflection files, the tricky part is that in CNS format they did not include the unit cell parameters. Just to locate them, it may be helpful to know that they contain a header that looks like this NREFlection= 49238 ANOMalous=FALSe { equiv. to HERMitian=TRUE} DECLa

Re: [ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread Jon Agirre
Add another extension to your search: *.mtf If your structure was refined with CNS, chances are you'll find its Molecular Topology File somewhere. Best of luck, Jon 2012/9/21 vellieux > As was mentioned, the diffraction data files can be named according to > the user's wish. But I'd try to l

Re: [ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread vellieux
As was mentioned, the diffraction data files can be named according to the user's wish. But I'd try to locate files with extensions .hkl, .xpl, .cv (and .cns? although I have never seen that extension used myself) Fred. On 21/09/12 12:10, Rex Palmer wrote: I have been presented with the proble

Re: [ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Rex, CNS uses input files, which are listed e.g. at http://cns.csb.yale.edu/v1.2/ When I used CNS I always had to use 'generate.inp' so i would start search for this. However, they can be freely renamed, I am afraid. Good luck, Tim On 09/21/20

[ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread Rex Palmer
I have been presented with the problem of locating protein data for a structure which was refined here ten years ago with the CNS program. Unfortunately I have never used this program so do not know what type of files I am looking for (or how many files). Any suggestions please Rex Palmer http:/

[ccp4bb] Post-doctoral Research Associate - Imperial College London

2012-09-21 Thread Vladimir Pelicic
We are seeking a post-doctoral Research Associate in Structural Biology to work in the Microbiology Section within the Division of Infectious Diseases, Department of Medicine at Imperial College London The research project is aimed at understanding the molecular mechanisms that allow bacteria o

[ccp4bb] sequencing

2012-09-21 Thread amro selem
 Dear all  , my job is to clone part of the gene already carried on pJC40 vector .i sent this vector for sequencing . i made also squence alignment, i have found only 97% identity . this mean about five nuclutides are not matching with original sequence . when i made protein blast i also found 4

[ccp4bb] Postdoctoral Fellow - University of Oklahoma

2012-09-21 Thread Charles Ballard
Postdoctoral Fellow – Protein Crystallography University of Oklahoma Health Sciences Center, USA A postdoctoral position is available immediately in the laboratory of Dr. Marie Hanigan for a highly motivated, creative individual with strong interest in the structure and function of enzymes relevant

[ccp4bb] Program for map rotation

2012-09-21 Thread dusan turk
Dear Niu, MAIN can do it (http://www-bmb.ijs.si). dusan On Sep 21, 2012, at 1:06 AM, CCP4BB automatic digest system wrote: > Date:Wed, 19 Sep 2012 15:25:50 -0700 > From:Niu Tou > Subject: Program for map rotation > > Dear colleagues, > > Is there any program can rotate a density map

Re: [ccp4bb] Which Coot for Scientific Linux 6.3

2012-09-21 Thread Kay Diederichs
Hi Fred, on today's PC hardware, a 64bit Linux should be used. We have been using coot-0.7-pre-1-revision-3965-binary-Linux-x86_64-centos-5-python-gtk2 on our 64bit SL 6.3 systems without problems. I just now installed coot-0.7-pre-1-revision-4360-binary-Linux-x86_64-centos-6-python-gtk2 on