Re: [ccp4bb] Deal with close heavy atom sites?

Hi, 1. do you know for sure that you have useful Se incorporation levels (i.e. by MS)? 2. there are minimal distance constraints on how close heavy atoms may be (one could use general chemistry knowledge to figure them out). Two actual Se atoms should never be as close as 1A apart. The sites c

[ccp4bb] Deal with close heavy atom sites?

Dear all, I have a 1.6A data in P21 spacegroup whith good quality, wich is assumed to contain 4 Set-Met. But the patterson map appears strange. There is a very big heavy peak in the harker section, and seems like an irregular ellipse, while there are small peaks very near(almost connect) to t

[ccp4bb] Issue with installing CCP4 on OS X

Recently tried to install ccp4-6.1.1-i386 on a leopard 10.5.7 system Installer worked Then I corrected the ccp4.setup-sh file to reflect the location of bltwish "/usr/local/X11/bin" Ran ccp4i and it worked once. Every-time after that it opened and closed immediately. Using X11 2.3.3.2. Anyone

Re: [ccp4bb] Axygen MS-100 plate sealer: user comments?

we have recently started using the hampton robolids for the same. I don't know how they work though. On Tue, Jul 28, 2009 at 3:50 PM, Chris Lemke < christopher.le...@boehringer-ingelheim.com> wrote: > Greetings all - I'm wondering if anybody out there can comment on the > Axygen MS-100 MiniSeale

[ccp4bb] Axygen MS-100 plate sealer: user comments?

Greetings all - I'm wondering if anybody out there can comment on the Axygen MS-100 MiniSealer's performance in pressure sealing crystallization plates and/or in heat sealing deep well blocks. Any user input would be greatly appreciated. Thanks in advance, Chris.

Re: [ccp4bb] advice on laptop for crystallography

On Tuesday 28 July 2009 09:44:42 Nathaniel Echols wrote: > On Tue, Jul 28, 2009 at 8:05 AM, Salgado, Paula > wrote: > > Also, I did a little research and it seems few laptops could deal with the > > resolution requirements for HKL2000 - any thoughts on that as well? > > This is really still a pr

Re: [ccp4bb] advice on laptop for crystallography

On Tue, Jul 28, 2009 at 8:05 AM, Salgado, Paula wrote: > I'm planning to upgrade my laptop and would like to run most > crystallography programs. I was wondering if people could comment on their > current prefered options. I would prefer not to go for a Mac, so any other > alternative suggestions

[ccp4bb] Foils for energy calibration

In the past we've used elemental foils from exafsmaterials.com for energy calibration of our MAD beamline. These standards are for EXAFS and XANES. Most are thin (5 micron) metal foils. Has anyone had experience with other sources of standards or other forms (such as compounds rather than p

[ccp4bb] advice on laptop for crystallography

Dear all I'm planning to upgrade my laptop and would like to run most crystallography programs. I was wondering if people could comment on their current prefered options. I would prefer not to go for a Mac, so any other alternative suggestions would be more than welcome. Also, I did a little r

Re: [ccp4bb] Overall forces in crystals?

James Isn't this also related to the speed of sound in the material? I guess measurements are made all made with crystals at room temperature and would be different at 100K. Any info on this for protein crystals? Speed of sound depends on density and elastic modulus though I guess would rapidl

[ccp4bb] Postdoctoral Fellow time-resolved small-angle X-ray scattering

The Paul Scherrer Institute is a centre for multi-disciplinary research and one of the world's leading user laboratories. With its 1300 employees it belongs as an autonomous institution to the Swiss ETH domain and concentrates its activities on solid-state research and materials sciences, elementar

Re: [ccp4bb] Overall forces in crystals?

The google keyword you are looking for is "Vickers hardness" which is mechanical engineering speak for how much "compliance" you get when you poke a sample of interest with a pointed stick. (After you specify the pointiness (tip dimensions), the sample has a flat surface, and you know the hard

Re: [ccp4bb] ccp4i, OS X 10.5.7, & security enforcement

James Stroud writes: > I inserted the echo to see if the variable was defined at that > point. The variable wasn't found to be defined at the script at the > point of the execute command so I made the echo to see if it was > before that. The line continuation is from the CCP4 code, it is not > m

Re: [ccp4bb] HIS restraint target values & SUs.

Hi Robbie Thanks for useful info. I perhaps didn't express the physiological pH question that well: what was going through my mind is that I assume that in many cases the crystallisation conditions are chosen to be close to the physiological ones simply because one obviously wants to know the bio

Re: [ccp4bb] HIS restraint target values & SUs.

Hi Ian, > All, I know Clemens Vonrhein raised a similar question about the HIS > restraint target values & SUs in the standard library some years ago. > The values currently in use appear to be the Engh & Huber (1991) ones > for the doubly-protonated (+1 charge) imidazole side-chain, so I have 4 >

[ccp4bb] HIS restraint target values & SUs.

All, I know Clemens Vonrhein raised a similar question about the HIS restraint target values & SUs in the standard library some years ago. The values currently in use appear to be the Engh & Huber (1991) ones for the doubly-protonated (+1 charge) imidazole side-chain, so I have 4 questions: 1) Sho

[ccp4bb] Overall forces in crystals?

Hi, I don't remember ever seeing any references to this, and am also not quite sure where to start looking -- but the BB readership tends to dredge up this sort of thing: Has anybody published (or just done) estimates of the magnitude of the forces that hold a crystal together? E.g. how har