Re: [ccp4bb] SARS-CoV-2 test on a smartphone

2020-04-01 Thread Sahil Batra
Agreed! False-positives would be less likely in this pandemic situation, although I am not sure about the predominance of - and similarity with - other common cold-causing coronaviruses. Regards, Sahil Batra On Thu, Apr 2, 2020 at 9:03 AM Nagarajan V wrote: > This is only a theoretical distinct

Re: [ccp4bb] SARS-CoV-2 test on a smartphone

2020-04-01 Thread Nagarajan V
This is only a theoretical distinction, isn’t it, given that it’s CoV2 that is predominant right now? V. Nagarajan On Tue, Mar 31, 2020 at 11:56 PM Sahil Batra wrote: > Dear Prof. Holton, > > An innovative idea; however all of the 30 kb genome may not be useful for > specific detection - SARS-C

Re: [ccp4bb] New phasing approach

2020-04-01 Thread Rosenbaum, Gerold
The x-ray interferometer is not a joke. In about 1974, Gerd Materlik built one for his thesis and inserted it in front of my beamline at the DESY synchrotron. The beam splitters and "mirrors" were all carved out of a single block of perfect single crystal silicon. He inserted a wedge of plastic

Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

2020-04-01 Thread Nicholas Larsen
Hi Frank, I thought we were working quickly, but we only just got all of your structures uploaded in our Proasis system today and can only now begin analysis and design ideas. I don't know if we will have much of anything by your deadline. Will there be additional design rounds? Thanks again for

Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

2020-04-01 Thread Frank Von Delft
For those that wish to play with an advanced tool: BioSolveIT have made it easy to get a relevant licence, link on that webpage. Sent from tiny silly touch screen From: Jurgen Bosch Sent: Wednesday, 1 April 2020 16:19 To: Frank Von Delft Cc: CCP4BB@jiscmail.ac.uk

Re: [ccp4bb] New phasing approach

2020-04-01 Thread Tim Gruene
Dear Bernhard, your paper is actually not so much of a joke. Are you aware of K. Huemmer's and E. Weckert's three-beam experiments? See e.g. https://link.springer.com/chapter/10.1007/978-1-4615-5879-8_24 Best regards, Tim On Wednesday, April 1, 2020 4:00:19 AM CEST Bernhard Rupp wrote: > Hi F

Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

2020-04-01 Thread Tim Gruene
Dear Jurgen, https://lmgtfy.com/?q=ccp4+twitter do you need more? Best, Tim On Wednesday, April 1, 2020 5:19:13 PM CEST Jurgen Bosch wrote: > #theBB is too slow :-), Honestly, we probably should have an official CCP4BB > Twitter account monitored by a few administrators to post relevant things

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] New phasing approach

2020-04-01 Thread Edward Berry
Bear in mind that position of the interferometer mirror or whatever would have to be constant to within a fraction of an Angstrom- breathe on the frame and it will warm ever so slightly- the expansion will change the phase of the reference beam by a few thousand wavelengths. A real engineering

Re: [ccp4bb] Paired refinement proves data quality goes beyond the spatial limits of the detector

2020-04-01 Thread Phoebe A. Rice
This advance brings deep new meaning to crystallographic data having both a real and an imaginary component! On 3/31/20, 11:36 PM, "CCP4 bulletin board on behalf of Petr Kolenko" wrote: Dear colleagues, We, the developers of a program for paired refinement, have found a remarkable fe

Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

2020-04-01 Thread Jurgen Bosch
#theBB is too slow :-), Honestly, we probably should have an official CCP4BB Twitter account monitored by a few administrators to post relevant things more publicly - just a thought. Thanks for the update and good to know it’s moving forward fast. I had to renew my license for a software I use f

Re: [ccp4bb] New phasing approach

2020-04-01 Thread Daniel M. Himmel, Ph. D.
That's fascinating! Can such an interferometer actually be constructed for an X-ray beam line or is this still in the realm of the theoretical possible? Daniel ___ Daniel M. Himmel, Ph. D. E-mail: danielmhim...@gmail.com On Tue, Mar 31, 2020 at 10:01 PM Bernhard Rupp wrote:

Re: [ccp4bb] Paired refinement proves data quality goes beyond the spatial limits of the detector

2020-04-01 Thread James Holton
NMR spectroscopists are ~50 years ahead of us on this.  They call it "zero filling".  Fortunately, these extra data compress very well. -James Holton MAD Scientist On 3/31/2020 9:36 PM, Petr Kolenko wrote: Dear colleagues, We, the developers of a program for paired refinement, have found a rem

[ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

2020-04-01 Thread Frank von Delft
All - last week's call for compound designs to the CoV-2 main protease (https://covid.postera.ai/covid) elicited an astonishing response...  (I confess I was quite taken aback.) I just realised I should let this BB know the second call for designs is now open. *Deadline is tomorrow 23:59 PST (A

Re: [ccp4bb] Change map handedness

2020-04-01 Thread Andre LB Ambrosio
Thank you all very much for the responses! Yes, what I wanted to do was to flip the volume of the map along the z-axis. Eleanor's solution worked perfectly. Best wishes and stay safe. Em qua., 1 de abr. de 2020 às 10:56, Ian Tickle escreveu: > > A file does not have a handedness, it's just a li

[ccp4bb] New PDBe-KB COVID-19 Macromolecular Structure Data Portal

2020-04-01 Thread John Berrisford
An unprecedented number of scientific efforts are taking place worldwide in order to help combat the new coronavirus epidemic (COVID-19). One of the biggest challenges in this fast-moving situation is to share data and findings in a coordinated way, in order to understand the disease and to develop

Re: [ccp4bb] Change map handedness

2020-04-01 Thread Ian Tickle
A file does not have a handedness, it's just a list of numbers. So the pedantic answer is that since it doesn't have a handedness you need do nothing to change it! I assume that what you mean is that you want to change the handedness of the _visual interpretation_ of the file. That's a different

Re: [ccp4bb] Change map handedness

2020-04-01 Thread Fischmann, Thierry
Also if you have Chimera installed: http://plato.cgl.ucsf.edu/pipermail/chimera-users/2011-December/006999.html Thierry From: CCP4 bulletin board On Behalf Of Eleanor Dodson Sent: Wednesday, April 1, 2020 9:00 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Change map handedness EXTERNAL EMA

Re: [ccp4bb] CCP4i2 Text size

2020-04-01 Thread Stuart McNicholas
Dear Sam, Please try: Edit->preferences The default tab on the preferences widget should be "Task interface". This has font size options, after picking a bigger number, click Apply. This may not fix all problems, but should make things better. Best wishes, Stuart On Wed, 1 Apr 2020 at 14:

Re: [ccp4bb] Change map handedness

2020-04-01 Thread Eugene Osipov
Dear Andre, the easierst way is to place mirror next to the screen. You should be able to see the mirror image of an existing map file ср, 1 апр. 2020 г. в 14:56, Andre LB Ambrosio : > Dear all, > is it possible to generate a mirror image of an existing .ccp4 map file? > Many thanks in advance. >

Re: [ccp4bb] Change map handedness

2020-04-01 Thread Eleanor Dodson
Easiest to multiply phases by -1. and recalculate mapl. Sftools can do that to your mtz On Wed, 1 Apr 2020 at 13:56, Andre LB Ambrosio wrote: > Dear all, > is it possible to generate a mirror image of an existing .ccp4 map file? > Many thanks in advance. > > > -- > Andre LB Ambrosio > > ---

[ccp4bb] Change map handedness

2020-04-01 Thread Andre LB Ambrosio
Dear all, is it possible to generate a mirror image of an existing .ccp4 map file? Many thanks in advance. -- Andre LB Ambrosio To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-

Re: [ccp4bb] 13th CCP4/APS Crystallographic School in the US

2020-04-01 Thread Xu, Qingping
Dear colleagues, Due to the on-going pandemic, the 2020 CCP4/APS workshop (originally scheduled for June 15-22, 2020) is postponed. We will try to schedule the workshop at a later date. If no suitable date is found, the event will be cancelled. Further notice will be announced in the CCP4 bul

[ccp4bb] Coot 0.9 Released

2020-04-01 Thread Paul Emsley
 Coot 0.9 is released.   This release has been a long-term effort (4 years according to my notes). It is powerful but not as   clean and stable as I would have liked, but I don't want to delay any longer. Many of the additions   and updates have been focused on the problems posed by cryo-EM re