[ccp4bb] Ferritin nanoparticles

2012-05-08 Thread Oliver Clarke
of periodicity and disorder, as the nanoparticle should stand out with very high contrast, given it is much more electron rich than the surrounding protein lattice. Good luck! Cheers, Oliver Clarke. On 7 May 2012, at 17:30, anna anna wrote: > Dear all, > I'd like some suggestions/o

[ccp4bb] Lysine methylation for proteins containing disulfide bonds?

2010-04-13 Thread Oliver Clarke
on or denaturation. Does anyone have any experience with reductive methylation of disulfided proteins, or know of any references describing the same? Thanks in advance, Oliver Clarke. __ The information in this email is confide

[ccp4bb] Docking models into low-res SAD map

2013-09-18 Thread Oliver Clarke
Hi all, Can anyone recommend software to dock previously solved domains into a (very) low-resolution experimentally phased map? I am working on a rather marginal case where this would be useful - very large assembly (500kDA per ASU), native goes to 6.9A, and the best derivative goes to 8A with

[ccp4bb] Docking models into low-res SAD map - summary

2013-09-23 Thread Oliver Clarke
Many thanks for all the replies - I haven't yet tried all of them, but they all look worth following up on, much food for thought here: * Several people suggested SITUS COLORES, which I shall certainly try and had not heard of until now. * The program ESSENS, from the Uppsala software factory,

[ccp4bb] CPRODRG segfault on Mac OS X 10.9,

2013-11-25 Thread Oliver Clarke
Hi all, I have recently been trying to use the LIDIA ligand-viewer of Coot, which calls cprodrg. I am running CCP4 6.4.0 with all the latest updates on a Macbook Air (mid-2012 model) with OS X 10.9 installed and the latest nightly build of coot (r4833). Unfortunately, when I run cprodrg either

[ccp4bb] COMPPA symposium registration deadline May 1!

2018-04-26 Thread Oliver Clarke
submit an abstract for a poster/short talk: https://www.comppaa.org/comppaa-symposium-2018 See below for a list of invited speakers with provisional titles - I think the meeting is shaping up very nicely, and we’d all love to see you there! Cheers, Oliver Clarke Radu Aricescu: Human GABAA receptor

[ccp4bb] HOLE program availability

2014-08-07 Thread Oliver Clarke
Dear all, Apologies for the non-CCP4 related post, but does anyone know where the HOLE program for mapping the conduction pathways of ion channels may be obtained from these days? Preferably in a form that may be run on Mac or Linux systems. It no longer appears to be available from the Sansom

Re: [ccp4bb] Add water in the symmetry center?

2014-08-11 Thread Oliver Clarke
Dear Bing, My best guess is that these are artefacts due to the increased noise level at special positions (in your case a sixfold increase - see for example: http://scripts.iucr.org/cgi-bin/paper?S0365110X66000264). I agree with your assessment that it is best to leave such peaks unmodelled u

Re: [ccp4bb] Help with importing density fit bar plots from Coot

2014-09-02 Thread Oliver Clarke
Dear Amit, I am not aware of an easy way to do this using Coot. However, if you run the "Comprehensive validation" tool in Phenix, it will generate a similar real-space correlation plot automatically, and the raw data for that plot can be exported (there is an option to "save results to file")

Re: [ccp4bb] Consensus on modeling unidentifiable lipids and detergents in membrane protein structures?

2014-11-07 Thread Oliver Clarke
Thanks Nat, this is exactly what I was looking for and it makes perfect sense! To make this more convenient when one has many unidentified densities of varying lengths, I've written a little extension for Coot that generates a new UNL residue with a specified number of carbons, makes restraints

Re: [ccp4bb] Consensus on modeling unidentifiable lipids and detergents in membrane protein structures?

2014-11-07 Thread Oliver Clarke
My apologies - there was an error in that script, I forgot to delete prodrg droppings - this one is better: menu=coot_menubar_menu("Custom") def make_alkyl_chain(): def make_alkyl_chain_length_n(n): smiles_string=int(n)*"c" new_molecule_by_smiles_string(smiles_string,smiles_string)

Re: [ccp4bb] Gadolinium complexes- phosphate buffer

2015-05-18 Thread Oliver Clarke
Dear Isa, Do you have any cysteines? I assume so given you mention class B metals... If so, and you have a ready supply of relatively isomorphous crystals, I would consider giving native SAD a go, collecting datasets from 5-10 (or however many you need) datasets at a reasonably low energy (say

Re: [ccp4bb] CCP4BB Digest - 17 Nov 2012 to 18 Nov 2012 (#2012-327)

2012-11-18 Thread Oliver Clarke
I had exactly the same thing happen this year to a 2008 macbook pro. Computer still worked while attached to power but unsurprisingly the battery did not work after that. On Nov 18, 2012, at 7:00 PM, CCP4BB automatic digest system wrote: > There are 8 messages totaling 1223 lines in this issu

[ccp4bb] COMPPÅ symposium - register now!

2018-04-04 Thread Oliver Clarke
Hi all, The deadline to register for the COMPPÅ symposium (covering production, structure determination, functional analysis and engineering of membrane proteins) is coming up in less than a month! Take a look at the attached flyer for confirmed speakers - I think it’s a pretty top notch line