[ccp4bb] calculation of the orientation angles between helices

2014-09-17 Thread Gajanan Arbade
Hello, I am using Qhelix, for the calculation of the orientation angles between helices. when am running the demo its working,but when am uploading my pdb file it is not working, can someone help me to resolve the problem.suggest me the other softwares for the same. Thank you. Regards,

Re: [ccp4bb] calculation of the orientation angles between helices

2014-09-17 Thread FOOS Nicolas
Hi Gajanan, i never try Qhelix, but i use Chimera to do that. It's possible to mesure angle, distance etc between helix. Hope to help. Nicolas De : CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] de la part de Gajanan Arbade [gajanan_pbi...@diat.ac.in]

[ccp4bb] Protein Crystallography course via the web at Birkbeck College

2014-09-17 Thread Tracey Barrett
Dear all, registration is currently open for the postgraduate certificate course in Protein Crystallography via the web at Birkbeck that begins on Monday, October the 6th. It is for the duration of 1 year during which all aspects of protein crystallography will be covered from the

[ccp4bb] REFMAC - TWIN OPTION

2014-09-17 Thread Santarsiero, Bernard D.
Can someone point me to bulletpoint documentation on using the twin refinement in CCP4? Here's what I did. 1. I'm in space group P3, and the see a very clean diffraction pattern that looks like one single lattice. Very clean spots, so merohedral twinning. 2. You can use various programs to

[ccp4bb] Immediately available: Postdoctoral position in Computational Structural Biology

2014-09-17 Thread David Sivak
Dear colleagues, This fall I start my own research group in the Physics Department at Simon Fraser University in Vancouver, British Columbia. In the near future, I hope to hire an exceptional, highly-motivated postdoctoral fellow to work on computational structural biology. Please forward this

[ccp4bb] AW: [ccp4bb] REFMAC - TWIN OPTION

2014-09-17 Thread Herman . Schreuder
Dear Berni, DETWIN will detwin your Fobs, which can be done if the twin fraction is sufficiently far from 0.5. However, as you discovered, you need to know the twin fraction, which is by convention specified by the smaller fraction. Once your data is detwinned, it should just be that, a file

Re: [ccp4bb] REFMAC - TWIN OPTION

2014-09-17 Thread Chris Fage
Hi Bernie, I agree with Herman. I think you will be all set if you simply change the no twin refinement option near the top of the Refmac interface to intensity based or amplitude based twin refinement. Refmac will determine the appropriate twin operators/fractions and refine. Best, Chris

[ccp4bb] Post Doc Postion in Oklahoma

2014-09-17 Thread Thomas, Leonard M.
I am posting this position announcement on the behalf of Dr. Rakhi Rajan, please direct any questions to her. A Post-doctoral Research position is available in the laboratory of Dr. Rakhi Rajan in the Department of Chemistry and Biochemistry at the University of Oklahoma. The research is

[ccp4bb] Two PhD position are available at The Hamburg Centre for Ultrafast Imaging (Germany)

2014-09-17 Thread markus perbandt
Two PhD position are available at The Hamburg Centre for Ultrafast Imaging to work on the following topics: 1. Structure-Function Relationship of bacterial protein translocation machines and their effectors (Supervisor Prof.Martin Aepfelbacher) link to the announcement:

Re: [ccp4bb] calculation of the orientation angles between helices

2014-09-17 Thread Pavel Afonine
Hi Gajanan, I am using Qhelix, for the calculation of the orientation angles between helices. when am running the demo its working,but when am uploading my pdb file it is not working, can someone help me to resolve the problem. can't help with Qhelix, but... suggest me the other softwares

[ccp4bb] binding surface

2014-09-17 Thread brian walker
I am looking for a program that will map out the binding surface of a dimer interface. For example if you have a PDB can you draw a colored surface for the contact sites. Specifically what I want to do is look at the interface for multiple dimer parteners and show how they overlap. Is that a

Re: [ccp4bb] binding surface

2014-09-17 Thread Andrew Orry
On 9/17/2014 11:51 AM, brian walker wrote: I am looking for a program that will map out the binding surface of a dimer interface. For example if you have a PDB can you draw a colored surface for the contact sites. Specifically what I want to do is look at the interface for multiple dimer

[ccp4bb] Assistant Professor – Structural Biology/Natural Products-U of Oklahoma

2014-09-17 Thread Thomas, Leonard M.
Faculty position open at the University of Oklahoma. Assistant Professor – Structural Biology/Natural Products. The Department of Chemistry and Biochemistry (http://chem.ou.edu) at the University of Oklahoma invites applications for a tenure-track faculty position at the rank of Assistant

Re: [ccp4bb] Guard columns from FPLC

2014-09-17 Thread Karl-Magnus Larsson
Dear Anita, As has been stated in another post I think, it is not a good idea to use a guard column in front of a Superdex column or any gel filtration column. It will dilute the sample and decrease the resolution and depending on the nature of the aggregate and guard column it might just clog.

Re: [ccp4bb] Guard columns from FPLC

2014-09-17 Thread Engin Özkan
I have two small points to add to what has been amply said already. First, those columns (like the pre-filter 6000) are nice to use with ion-exchange or metal affinity columns on FPLCs, attached right after a superloop. Not gel filtration columns. Second, for small samples loaded on gel