[ccp4bb] Maprot question.

2012-09-25 Thread Niu Tou
Dear Colleagues, Does anybody know if the definition of rotation parameters in Maprot are different from that of Coot? I used Coot to superimpose a model A to model B, to get a new model A* and rotation parameters (Euler angles and translations), howerver when I used these parameters to move the o

Re: [ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Allan Pang
If the information is out there and had been published, then I do not see the point why it cannot be used to get your story out. I assumed that you will cite their Acta F paper. You might ended up waiting for a long time to get your structure out, so why wait? It also depends whose project

Re: [ccp4bb] Direct crystallization of Lysozyme from eggs

2012-09-25 Thread Jacob Keller
Alhtough perhaps a little more macabre--maybe you could crystallize hemoglobin or myoglobin from blood or muscle (meat?). I recollect some story of whale myo- or hemo-globin crystallizing on the salty decks of a whaling ship... Jacob On Tue, Sep 25, 2012 at 11:59 AM, David Smith wrote: > Dear

[ccp4bb] Direct crystallization of Lysozyme from eggs

2012-09-25 Thread David Smith
Dear crystallographers, I am working on an outreach program through the APS to get motivated high school students some/more research experience. As I work at a crystallography beamline (LS-CAT), we are trying to get a crystallographically centered experiment in place that will be interesting to a

Re: [ccp4bb] Joining two atoms to display in pymol

2012-09-25 Thread Christopher Browning
Hi, Yeah, thanks for the help. I've noticed that it needs to be for the chain object, so I'll just modify the PDB accordingly, Cheers, C On Tue, 2012-09-25 at 18:49 +0200, Sabine Schneider wrote: > Hi Chris, > > If you select the two atoms in 'editing mode' and type 'bond' at the > command

[ccp4bb] Joining two atoms to display in pymol

2012-09-25 Thread Christopher Browning
Hi, I have a question about how to join two atoms together so that in Pymol a bond is drawn between them. I have 2 sugar molecules that are covalently bound, but in the the PDB they are separate sugar molecules and they need to be joined together by a single bond. Do I have to annotate the PDB fil

[ccp4bb] Open position for protein crystallographer at Bayer in Berlin, Germany

2012-09-25 Thread Roman Hillig
Dear all, We have an open position in our Structural Biology department at Bayer in Berlin. All details can be found in the job advertisement under the following link: https://mybayerjob.bayerbbs.com/sap/bc/webdynpro/sap/hrrcf_a_posting_apply?param=cG9zdF9pbnN0X2d1aWQ9MDA1MDU2ODkwMEI0MUVEMjgwOU

Re: [ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Oganesyan, Vaheh
Herman, I don't know which early days you refer to, but from late 80s until structural genomics era there were relatively few crystallization reports. May be I didn't see them, and then I apologize. But crystallization reports in large started in late 90s through early 21st century and Acta F h

Re: [ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Herman . Schreuder
In the very early days, solving a protein structure was an enormous amount of work and since hardly any protein structures were solved there was a huge pool of unsolved structures. Under these circumstances, it was a waste of resources if two groups would work on the same protein. To prevent th

[ccp4bb] Postdoctoral position at the European Institute of Oncology, Milano

2012-09-25 Thread Marina Mapelli
Postdoctoral research position in Structural Biology A postdoctoral research position is available in the group of Marina Mapelli at the European Institute of Oncology in Milano (http://www.ifom-ieo-campus.it/research/mapelli.php). The main interest of the group focuses on the molecular mechani

Re: [ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Edwin Pozharski
Tim, On 09/25/2012 09:51 AM, Tim Gruene wrote: I would assume that someone who publishes crystallisation conditions has given up solving the structure or some other reason to encourage others to pick up the project there could be several situations when this is not so. Sometimes a crystalliz

Re: [ccp4bb] low-resolution refinement

2012-09-25 Thread Pete Meyer
3) Activating map sharpening results in mtz files that look just normal and open in coot after the typical map calculation break, but no maps are displayed. This is independent of the sharpening factor I choose (between 5 and 60). I haven't used coot for map sharpening, but using the range

Re: [ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Peter Moody
Its not always the case that the project has been abandoned or died, some labs will push crystallisation notes to give a student paper-writing experience, and could have invested a significant effort since in the project. They could be waiting for e.g. the complex that makes it interesting. Or the

Re: [ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Bosch, Juergen
It could also be salami-tactic, the least-publishable unit. @Christine, since you are at a company and worry about somebodies PhD I would contact the person from that Acta F paper and simply inform them that you would like to publish that. There are many scenarios that might follow, one of them

Re: [ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Nat Echols
On Tue, Sep 25, 2012 at 6:51 AM, Tim Gruene wrote: > I would assume that someone who publishes crystallisation conditions has > given up solving the structure or some other reason to encourage others > to pick up the project, i.e., no, I don't see much point NOT > publishing your data. I always a

Re: [ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Christine, I would assume that someone who publishes crystallisation conditions has given up solving the structure or some other reason to encourage others to pick up the project, i.e., no, I don't see much point NOT publishing your data. Cheers,

[ccp4bb] Etiquette on publishing if there is a crystallization report from someone else.

2012-09-25 Thread Lukacs, Christine
I'd like to get a community opinion on something. If a group has published crystallization and diffraction data (Acta Cryst F style crystallization report), and you happen to have the same crystal form and have solved the structure, is there an unspoken rule that you don't publish, or an amount

[ccp4bb] suggestions for good yet cost-effective pipettes

2012-09-25 Thread sreetama das
Dear all,   We are planning to buy electronic dispensing pipette (single channel) and mechanical multi-channel pipette (8 channel) in the range 0.5 - 10 ul in our lab. Currently, we are considering IKA PRECISION pipettes. It will be helpful if we can get feedback on how these pipett

Re: [ccp4bb] low-resolution refinement

2012-09-25 Thread Robert Nicholls
Hi Andreas, In your case, it sounds like a reasonable strategy would be to use external restraints for a few rounds of refinement (as you have done), but then release them and instead use jelly-body restraints. This two-stage process will help to initially hold your model in a sensible conforma

[ccp4bb] low-resolution refinement

2012-09-25 Thread Andreas Förster
Dear all, I'm making first steps in the desolate world of low-resolution refinement. With dodgy 3.8A data, the magic of Phaser was able to solve the structure of a complex by MR with its components as MR models. Jelly-body refinement does wonders for R free. There are three issues that I wo

[ccp4bb] Joint EMBL-CCP4 training course in macromolecular crystallography

2012-09-25 Thread eugene . krissinel
Dear All, This is a reminder that the application deadline for the joint EMBL-CCP4 training course "European School for Macromolecular Crystallography (ESMAX)" is now just a week ahead (October 1st). The Course will take place at the EMBL Hamburg Outstation, the DESY synchrotron site during th