[ccp4bb] generating symmetry related

2012-08-10 Thread anita p
Dear All, I have a small molecule structure file coordinates in CSD CIF format, I would like to analysis inter-molecular interaction between them by generating symmetry related nearest neighbor structures. I want to store the coordinates of the generated structures and further analysis it using

Re: [ccp4bb] calculation of cavities within crystal protein

2012-08-10 Thread Dr. Lorenzo Finci
Danilo, There are two points that I want you to consider before I attempt to answer your question:1. In terms of capabilities:Voidoo has the capability to detect specific voids or all voids inside a bio-macromolecular complex, as well as certain cavities that are connected to the outside

Re: [ccp4bb] generating symmetry related

2012-08-10 Thread Paul Emsley
On 10/08/12 08:05, anita p wrote: Dear All, I have a small molecule structure file coordinates in CSD CIF format, I would like to analysis inter-molecular interaction between them by generating symmetry related nearest neighbor structures. I want to store the coordinates of the generated

[ccp4bb] UEFI Secure Boot ( was Re: [ccp4bb] Various OSes and Crystallography)

2012-08-10 Thread Peter Keller
Dear all, This discussion about OS's seems like a good time to flag up the UEFI Secure Boot issue, for any of you who haven't heard about it. Quite what it means for Linux depends on whose commentary you read, but it is just possible that the carefree days of buying any x86-based system with

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2012-08-10 Thread Runjhun Saran
Hello everyone.. This is Runjhun Saran. I am new to studying inter-molecular protein interactions and the residues involved in them. Can anyone suggest me online websites or freely available softwares where we can put in the PDB files of the interacting molecules and get the residues involved in

[ccp4bb] having difficulties with ammonium ion

2012-08-10 Thread Afshan Begum
Hello all, I am refining  my structures with REFMAC 5 and is failed. Actually i used ammonium dihydrogen phosphate buffer during crystallization and in the map file where i observed the density of ammonium ion (NH4). I get this ion from the coot library but when i run refmac its failed even i

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2012-08-10 Thread Bosch, Juergen
one interpretation of your question could be answered with CCP4i using Contact http://www.ccp4.ac.uk/html/contact.html and listing contacts between say chain A and B. You can do this also with the PISA server, assuming your PDB contains the proteins in question as a complex. Manually you could

Re: [ccp4bb] Various OSes and Crystallography

2012-08-10 Thread William G. Scott
I completely agree with Harry's observation about the glare screen feature. I find it is quite literally an almost instant headache. There is an option with the macbook pro to pay a ransom to get a usable screen, so my wife did. On my macbook air, I found putting a dull dark grey background

[ccp4bb] Symposium in Membrane Protein Crystallisation - UK

2012-08-10 Thread Dr. Isabel De Moraes
Dear All, The Membrane Protein Laboratory (MPL) at Diamond Light Source is organising a Symposium in Membrane Protein Crystallisation on the 27th of September at the Research Complex at Harwell - UK The registration is now open:

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2012-08-10 Thread Runjhun Saran
Dear All, Thanks a lot for the help, PISA and CCP4 has really helped me a lot! Regards, Runjhun On Fri, Aug 10, 2012 at 9:11 PM, Jawahar Sudhamsu sudha...@gmail.comwrote: Hi Runjhun, This server works well for calculating inter-molecular protein interactions.

[ccp4bb] Position in structural immunology

2012-08-10 Thread Steve Almo
A position is immediately available in the structural immunology program at the Albert Einstein College of Medicine to pursue the expression, purification and structure determination of a wide range of immune modulatory proteins and complexes. Familiarity with high resolution structure

[ccp4bb] Monomer Library Sketcher

2012-08-10 Thread Huiying Li
Another problem we encountered with the newly installed CCP4 6.3.0 on a 64-bit Linux computer: The graphic window of Monomer Library Sketcher can't pop up, giving the following error: Can not run Monomer Library Sketcher with the BLT extension to Tcl/Tk installed. See your system manager or

[ccp4bb] Position in Structural Biology of Nucleic Acids/Protein Complex

2012-08-10 Thread Dong Wang
An immediate opening for a protein crystallographer position in UC San Diego. The research is focused on the structural and functional investigation of Nucleic Acids/Protein complexes. The successful candidate should have a fresh Ph.D. in structural biology in nucleic acids/protein complex and

[ccp4bb] Advice on Enzyme Kinetics (substrate bound plate format)

2012-08-10 Thread Stephen Connelly
I am looking for some expert advice on enzyme kinetics but for an assay in plate format which has the substrate bound. This is different that the usual homogeneous plate assays or heterogeneous assays where the enzyme (catalyst) is plate bound. In short I am trying to look at the Ki of a