[ccp4bb] How to exclude resolution bins

2012-11-22 Thread Wei Feng
Dear all
An ice ring is found in the raw image files and the resolution range is from 
3.70-3.57A.
I want to remove this ice ring by excluding the reolution bin.
Can anyone tell me how to do?
Thanks a lot !
Wei Feng


[ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Peter Keller

Dear all,

On Thursday next week, the BBC radio program In Our Time will be 
discussing the history of crystallography. The link to the program is 
http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it doesn't say 
who the guests are, but they usually manage to find people with something 
interesting to say, even if the presenter Melvyn Bragg's grasp of scientific 
material isn't always that great.


I think that from outside the UK it is possible to listen live from the link 
above, and that a day or two after the broadcast a podcast will be available 
to download from http://www.bbc.co.uk/podcasts/series/iot.


Regards,
Peter.

--
Peter Keller Tel.: +44 (0)1223 353033
Global Phasing Ltd., Fax.: +44 (0)1223 366889
Sheraton House,
Castle Park,
Cambridge CB3 0AX
United Kingdom


Re: [ccp4bb] How to exclude resolution bins

2012-11-22 Thread Joern Krausze

Hi,

in XDS this can be done quite easily. Just use the line

EXCLUDE_RESOLUTION_RANGE=3.7 3.57

in the XDS.INP file.

Joern


**
Address:

Joern Krausze
Molecular Structural Biology
Helmholtz Centre for Infection Research
Inhoffenstrasse 7
38124 Braunschweig
Germany

Email:  joern.krau...@helmholtz-hzi.de
Phone:  +49 (0)531 6181 7023 (office)
+49 (0)531 6181 7020 (lab)
**

On Thu, 22 Nov 2012, Wei Feng wrote:


Dear all
An ice ring is found in the raw image files and the resolution range is from 
3.70-3.57A.
I want to remove this ice ring by excluding the reolution bin.
Can anyone tell me how to do?
Thanks a lot !
Wei Feng








Helmholtz-Zentrum für Infektionsforschung GmbH | Inhoffenstraße 7 | 38124 
Braunschweig | www.helmholtz-hzi.de

Vorsitzende des Aufsichtsrates: MinDir’in Bärbel Brumme-Bothe, 
Bundesministerium für Bildung und Forschung
Stellvertreter: Rüdiger Eichel, Abteilungsleiter Niedersächsisches Ministerium 
für Wissenschaft und Kultur
Geschäftsführung: Prof. Dr. Dirk Heinz; Ulf Richter, MBA
Gesellschaft mit beschränkter Haftung (GmbH)
Sitz der Gesellschaft: Braunschweig
Handelsregister: Amtsgericht Braunschweig, HRB 477


[ccp4bb] Equilibrium Relative Humidity matching

2012-11-22 Thread Matthew Bowler

Dear All,
after a few requests, I have now added equations to the online 
calculator that uses Raoult's law to calculate the relative humidity 
equilibria for precipitant solutions (see http://go.esrf.eu/RH). The new 
equations (4 and 5) allow the calculation of salt concentrations that 
will be in equilibrium with a certain PEG or other molecule solution - 
this will allow slow and controlled dehydration experiments to be 
designed in vapour diffusion plates, by slowly increasing the salt 
concentration in the reservoir above the equilibrium and thereby 
reducing the amount of water in the crystallisation drop by a controlled 
amount.   Hope it is useful, cheers, Matt.


--
Matthew Bowler
Synchrotron Science Group
European Molecular Biology Laboratory
BP 181, 6 rue Jules Horowitz
38042 Grenoble Cedex 9
France
===
Tel: +33 (0) 4.76.20.76.37
Fax: +33 (0) 4.76.88.29.04

http://www.embl.fr/
===


Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Rex Palmer
Dear CCP4'ers
One speaker is Professor Mike Glazer (Oxford). He would like as many 
crystallographers as possible to know about this. Mike says:  On Nov 29 on 
Radio4 I expect to be talking about the Braggs on the Melvyn Bragg program In 
Our Time at 9 oclock am. Today (11th November 2012) is exactly 100 years since 
W L Bragg presented his first paper to the Cambridge Philosophical Society and 
thus begun the field of X-ray Crystallography. 

Rex Palmer
http://www.bbk.ac.uk/biology/our-staff/emeritus-staff
http://rexpalmer2010.homestead.com
 


 From: Peter Keller pkel...@globalphasing.com
To: CCP4BB@JISCMAIL.AC.UK 
Sent: Thursday, 22 November 2012, 10:30
Subject: [ccp4bb] Crystallography on BBC Radio 4 next week
  
Dear all,

On Thursday next week, the BBC radio program In Our Time will be discussing 
the history of crystallography. The link to the program is 
http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it doesn't say who 
the guests are, but they usually manage to find people with something 
interesting to say, even if the presenter Melvyn Bragg's grasp of scientific 
material isn't always that great.

I think that from outside the UK it is possible to listen live from the link 
above, and that a day or two after the broadcast a podcast will be available to 
download from http://www.bbc.co.uk/podcasts/series/iot.

Regards,
Peter.

-- Peter Keller                                     Tel.: +44 (0)1223 353033
Global Phasing Ltd.,                             Fax.: +44 (0)1223 366889
Sheraton House,
Castle Park,
Cambridge CB3 0AX
United Kingdom

Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Ian Tickle
Nice (and short!) article on the history in a recent issue of Physics World
(free registration is required).

http://physicsworld.com/cws/article/print/2012/sep/27/one-amazing-moment

-- Ian


On 22 November 2012 12:45, Rex Palmer rex.pal...@btinternet.com wrote:

 Dear CCP4'ers
 One speaker is Professor Mike Glazer (Oxford). He would like as many
 crystallographers as possible to know about this. Mike says:  On Nov 29 on
 Radio4 I expect to be talking about the Braggs on the Melvyn Bragg program
 In Our Time at 9 oclock am. Today (11th November 2012) is exactly 100 years
 since W L Bragg presented his first paper to the Cambridge Philosophical
 Society and thus begun the field of X-ray Crystallography.

 Rex Palmer
 http://www.bbk.ac.uk/biology/our-staff/emeritus-staff
 http://rexpalmer2010.homestead.com
*From:* Peter Keller pkel...@globalphasing.com
 *To:* CCP4BB@JISCMAIL.AC.UK
 *Sent:* Thursday, 22 November 2012, 10:30
 *Subject:* [ccp4bb] Crystallography on BBC Radio 4 next week

 Dear all,

 On Thursday next week, the BBC radio program In Our Time will be
 discussing the history of crystallography. The link to the program is 
 http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it doesn't say
 who the guests are, but they usually manage to find people with something
 interesting to say, even if the presenter Melvyn Bragg's grasp of
 scientific material isn't always that great.

 I think that from outside the UK it is possible to listen live from the
 link above, and that a day or two after the broadcast a podcast will be
 available to download from http://www.bbc.co.uk/podcasts/series/iot.

 Regards,
 Peter.

 -- Peter KellerTel.: +44 (0)1223
 353033
 Global Phasing Ltd.,Fax.: +44 (0)1223 366889
 Sheraton House,
 Castle Park,
 Cambridge CB3 0AX
 United Kingdom





Re: [ccp4bb] How to exclude resolution bins

2012-11-22 Thread Wei Feng
Dear Joern,
Thank you for your quick reply!
I try to use xds to process the image files, but it seems that  the current 
version of XDSAPP can not supports that detector.
Can you tell me the other way to deal with it?
Thank you for you time!
Best!
Dingwei







At 2012-11-22 18:31:57,Joern Krausze jk...@helmholtz-hzi.de wrote:
Hi,

in XDS this can be done quite easily. Just use the line

EXCLUDE_RESOLUTION_RANGE=3.7 3.57

in the XDS.INP file.

Joern


**
Address:

Joern Krausze
Molecular Structural Biology
Helmholtz Centre for Infection Research
Inhoffenstrasse 7
38124 Braunschweig
Germany

Email:  joern.krau...@helmholtz-hzi.de
Phone:  +49 (0)531 6181 7023 (office)
 +49 (0)531 6181 7020 (lab)
**

On Thu, 22 Nov 2012, Wei Feng wrote:

 Dear all
 An ice ring is found in the raw image files and the resolution range is from 
 3.70-3.57A.
 I want to remove this ice ring by excluding the reolution bin.
 Can anyone tell me how to do?
 Thanks a lot !
 Wei Feng







Helmholtz-Zentrum für Infektionsforschung GmbH | Inhoffenstraße 7 | 38124 
Braunschweig | www.helmholtz-hzi.de

Vorsitzende des Aufsichtsrates: MinDir’in Bärbel Brumme-Bothe, 
Bundesministerium für Bildung und Forschung
Stellvertreter: Rüdiger Eichel, Abteilungsleiter Niedersächsisches Ministerium 
für Wissenschaft und Kultur
Geschäftsführung: Prof. Dr. Dirk Heinz; Ulf Richter, MBA
Gesellschaft mit beschränkter Haftung (GmbH)
Sitz der Gesellschaft: Braunschweig
Handelsregister: Amtsgericht Braunschweig, HRB 477



Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Peter Keller
Dear all,

I have had several queries about this off-list, so here are some
clarifications.

I don't know if Melvyn Bragg is related to WL and WH Bragg. I doubt it,
but if he is maybe he will say. (Bragg is a fairly common name in
English.)

The normal subject matter of In Our Time is humanities-based (i.e.
art, history, philosophy etc.), but they deal with scientific or
mathematical subjects occasionally.

There are two live broadcasts, at 09:00 and 21:30 UK time. The later one
is a shortened version (edited from about 42 mins to about 28), so
better to listen to the earlier one if you can.

There are three options for listening other than the terrestrial radio
broadcast. All should work outside the UK (restrictions on using the BBC
iPlayer overseas mostly apply only to television, or on the radio to
certain special broadcasts such as some sporting events).

(i) Live on the internet at the times above: go to the programme page at
http://www.bbc.co.uk/programmes/b01p0s9s and click on the LISTEN
icon (with a picture of a small loudspeaker) towards the upper right of
the page.

(ii) Using iPlayer after the second broadcast has finished. Go to the
programme page at http://www.bbc.co.uk/programmes/b01p0s9s and click
on the Listen now button on the left of the picture illustrating the
programme. In principle this should become available within a few
minutes of the end of the second broadcast (i.e. soon after 22:00 UK
time), but sometimes there is a longer delay of up to an hour. It won't
expire, so you can always listen on another day.

(iii) Download a podcast in mp3 format from
http://www.bbc.co.uk/podcasts/series/iot. This will become available
sometime after the second broadcast has finished, but it could be a day
or two afterwards. These podcasts also don't expire or disappear: you
can download them years after the original broadcasts.

Options (ii) and (iii) will get you the full rather than the shortened
version of the programme.

Regards,
Peter.

On Thu, 2012-11-22 at 10:30 +, Peter Keller wrote:
 Dear all,
 
 On Thursday next week, the BBC radio program In Our Time will be 
 discussing the history of crystallography. The link to the program is 
 http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it doesn't say 
 who the guests are, but they usually manage to find people with something 
 interesting to say, even if the presenter Melvyn Bragg's grasp of scientific 
 material isn't always that great.
 
 I think that from outside the UK it is possible to listen live from the link 
 above, and that a day or two after the broadcast a podcast will be available 
 to download from http://www.bbc.co.uk/podcasts/series/iot.
 
 Regards,
 Peter.
 

-- 
Peter Keller Tel.: +44 (0)1223 353033
Global Phasing Ltd., Fax.: +44 (0)1223 366889
Sheraton House,
Castle Park,
Cambridge CB3 0AX
United Kingdom


Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Peter Keller
On Thu, 2012-11-22 at 13:52 +, Peter Keller wrote:

 (ii) Using iPlayer after the second broadcast has finished. Go to the
 programme page at http://www.bbc.co.uk/programmes/b01p0s9s and click
 on the Listen now button on the left of the picture illustrating the
 programme. In principle this should become available within a few
 minutes of the end of the second broadcast (i.e. soon after 22:00 UK
 time), but sometimes there is a longer delay of up to an hour. It won't
 expire, so you can always listen on another day.

Whoops, sorry: that should be after the first broadcast has finished,
i.e. sometime after 09:45 UK time. The link is already there for this
morning's programme about the Borgia family at
http://www.bbc.co.uk/programmes/b01nzgjz

Peter.

-- 
Peter Keller Tel.: +44 (0)1223 353033
Global Phasing Ltd., Fax.: +44 (0)1223 366889
Sheraton House,
Castle Park,
Cambridge CB3 0AX
United Kingdom


[ccp4bb] Hgen ccp4i gui is broken

2012-11-22 Thread Petr Leiman
Dear all,

Hgen GUI does not start (the error message is below). The CCP4 version is 
6.3.0-009 (64 bit). The system is 2.6.35-32-generic #67-Ubuntu SMP x86_64 
GNU/Linux. Is this unique to our system configuration? 

Thank you.

Petr

The error message is:

can't use non-numeric string as operand of !
can't use non-numeric string as operand of !
while executing
if { ![$task_setup typedef $arrayname] } {
  PleaseWait
  return
}
(procedure RunTask line 96)
invoked from within
RunTask hgen
invoked from within
.module.menu.action.canvas.frame.t.f_47 invoke
(uplevel body line 1)
invoked from within
uplevel #0 [list $w invoke]
(procedure tk::ButtonUp line 22)
invoked from within
tk::ButtonUp .module.menu.action.canvas.frame.t.f_47
(command bound to event)

Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Martyn Winn
I'd just like to comment that In Our Time is usually pretty good. I caught the 
end of this morning's program on the Borgias. After hearing about murder, 
nepotism and incest, it was a bit disorientating to hear Melvyn announce 
crystallography as the next subject :)

m

 -Original Message-
 From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
 Peter Keller
 Sent: 22 November 2012 13:52
 To: ccp4bb
 Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week
 
 Dear all,
 
 I have had several queries about this off-list, so here are some
 clarifications.
 
 I don't know if Melvyn Bragg is related to WL and WH Bragg. I doubt it,
 but if he is maybe he will say. (Bragg is a fairly common name in
 English.)
 
 The normal subject matter of In Our Time is humanities-based (i.e.
 art, history, philosophy etc.), but they deal with scientific or
 mathematical subjects occasionally.
 
 There are two live broadcasts, at 09:00 and 21:30 UK time. The later
 one
 is a shortened version (edited from about 42 mins to about 28), so
 better to listen to the earlier one if you can.
 
 There are three options for listening other than the terrestrial radio
 broadcast. All should work outside the UK (restrictions on using the
 BBC
 iPlayer overseas mostly apply only to television, or on the radio to
 certain special broadcasts such as some sporting events).
 
 (i) Live on the internet at the times above: go to the programme page
 at
 http://www.bbc.co.uk/programmes/b01p0s9s and click on the LISTEN
 icon (with a picture of a small loudspeaker) towards the upper right of
 the page.
 
 (ii) Using iPlayer after the second broadcast has finished. Go to the
 programme page at http://www.bbc.co.uk/programmes/b01p0s9s and click
 on the Listen now button on the left of the picture illustrating the
 programme. In principle this should become available within a few
 minutes of the end of the second broadcast (i.e. soon after 22:00 UK
 time), but sometimes there is a longer delay of up to an hour. It won't
 expire, so you can always listen on another day.
 
 (iii) Download a podcast in mp3 format from
 http://www.bbc.co.uk/podcasts/series/iot. This will become available
 sometime after the second broadcast has finished, but it could be a day
 or two afterwards. These podcasts also don't expire or disappear: you
 can download them years after the original broadcasts.
 
 Options (ii) and (iii) will get you the full rather than the shortened
 version of the programme.
 
 Regards,
 Peter.
 
 On Thu, 2012-11-22 at 10:30 +, Peter Keller wrote:
  Dear all,
 
  On Thursday next week, the BBC radio program In Our Time will be
  discussing the history of crystallography. The link to the program is
  http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it doesn't
 say
  who the guests are, but they usually manage to find people with
 something
  interesting to say, even if the presenter Melvyn Bragg's grasp of
 scientific
  material isn't always that great.
 
  I think that from outside the UK it is possible to listen live from
 the link
  above, and that a day or two after the broadcast a podcast will be
 available
  to download from http://www.bbc.co.uk/podcasts/series/iot.
 
  Regards,
  Peter.
 
 
 --
 Peter Keller Tel.: +44 (0)1223
 353033
 Global Phasing Ltd., Fax.: +44 (0)1223
 366889
 Sheraton House,
 Castle Park,
 Cambridge CB3 0AX
 United Kingdom


Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Martin Walsh
Martyn, your selling in our time short...I'd say it's always b*$($ brilliant! 
-interesting to see who his guests will be next week to discuss the history of 
crystallography.
Bragg is the chancellor of Leeds university so it all fits rather well!
M


-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Martyn 
Winn
Sent: 22 November 2012 14:13
To: ccp4bb
Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week

I'd just like to comment that In Our Time is usually pretty good. I caught the 
end of this morning's program on the Borgias. After hearing about murder, 
nepotism and incest, it was a bit disorientating to hear Melvyn announce 
crystallography as the next subject :)

m

 -Original Message-
 From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of 
 Peter Keller
 Sent: 22 November 2012 13:52
 To: ccp4bb
 Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week
 
 Dear all,
 
 I have had several queries about this off-list, so here are some 
 clarifications.
 
 I don't know if Melvyn Bragg is related to WL and WH Bragg. I doubt 
 it, but if he is maybe he will say. (Bragg is a fairly common name in
 English.)
 
 The normal subject matter of In Our Time is humanities-based (i.e.
 art, history, philosophy etc.), but they deal with scientific or 
 mathematical subjects occasionally.
 
 There are two live broadcasts, at 09:00 and 21:30 UK time. The later 
 one is a shortened version (edited from about 42 mins to about 28), so 
 better to listen to the earlier one if you can.
 
 There are three options for listening other than the terrestrial radio 
 broadcast. All should work outside the UK (restrictions on using the 
 BBC iPlayer overseas mostly apply only to television, or on the radio 
 to certain special broadcasts such as some sporting events).
 
 (i) Live on the internet at the times above: go to the programme page 
 at http://www.bbc.co.uk/programmes/b01p0s9s and click on the 
 LISTEN
 icon (with a picture of a small loudspeaker) towards the upper right 
 of the page.
 
 (ii) Using iPlayer after the second broadcast has finished. Go to the 
 programme page at http://www.bbc.co.uk/programmes/b01p0s9s and click 
 on the Listen now button on the left of the picture illustrating the 
 programme. In principle this should become available within a few 
 minutes of the end of the second broadcast (i.e. soon after 22:00 UK 
 time), but sometimes there is a longer delay of up to an hour. It 
 won't expire, so you can always listen on another day.
 
 (iii) Download a podcast in mp3 format from 
 http://www.bbc.co.uk/podcasts/series/iot. This will become available 
 sometime after the second broadcast has finished, but it could be a 
 day or two afterwards. These podcasts also don't expire or disappear: 
 you can download them years after the original broadcasts.
 
 Options (ii) and (iii) will get you the full rather than the shortened 
 version of the programme.
 
 Regards,
 Peter.
 
 On Thu, 2012-11-22 at 10:30 +, Peter Keller wrote:
  Dear all,
 
  On Thursday next week, the BBC radio program In Our Time will be 
  discussing the history of crystallography. The link to the program 
  is http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it 
  doesn't
 say
  who the guests are, but they usually manage to find people with
 something
  interesting to say, even if the presenter Melvyn Bragg's grasp of
 scientific
  material isn't always that great.
 
  I think that from outside the UK it is possible to listen live from
 the link
  above, and that a day or two after the broadcast a podcast will be
 available
  to download from http://www.bbc.co.uk/podcasts/series/iot.
 
  Regards,
  Peter.
 
 
 --
 Peter Keller Tel.: +44 (0)1223
 353033
 Global Phasing Ltd., Fax.: +44 (0)1223
 366889
 Sheraton House,
 Castle Park,
 Cambridge CB3 0AX
 United Kingdom


Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread George T. DeTitta
Does anyone happen to know if BBC4 broadcasts over the web?

George DeTitta
HWI / UB

Sent via BlackBerry by ATT

-Original Message-
From: Martyn Winn martyn.w...@stfc.ac.uk
Sender: CCP4 bulletin board CCP4BB@JISCMAIL.AC.UK
Date: Thu, 22 Nov 2012 14:12:37 
To: CCP4BB@JISCMAIL.AC.UK
Reply-To: martyn.w...@stfc.ac.uk
Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week

I'd just like to comment that In Our Time is usually pretty good. I caught the 
end of this morning's program on the Borgias. After hearing about murder, 
nepotism and incest, it was a bit disorientating to hear Melvyn announce 
crystallography as the next subject :)

m

 -Original Message-
 From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
 Peter Keller
 Sent: 22 November 2012 13:52
 To: ccp4bb
 Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week
 
 Dear all,
 
 I have had several queries about this off-list, so here are some
 clarifications.
 
 I don't know if Melvyn Bragg is related to WL and WH Bragg. I doubt it,
 but if he is maybe he will say. (Bragg is a fairly common name in
 English.)
 
 The normal subject matter of In Our Time is humanities-based (i.e.
 art, history, philosophy etc.), but they deal with scientific or
 mathematical subjects occasionally.
 
 There are two live broadcasts, at 09:00 and 21:30 UK time. The later
 one
 is a shortened version (edited from about 42 mins to about 28), so
 better to listen to the earlier one if you can.
 
 There are three options for listening other than the terrestrial radio
 broadcast. All should work outside the UK (restrictions on using the
 BBC
 iPlayer overseas mostly apply only to television, or on the radio to
 certain special broadcasts such as some sporting events).
 
 (i) Live on the internet at the times above: go to the programme page
 at
 http://www.bbc.co.uk/programmes/b01p0s9s and click on the LISTEN
 icon (with a picture of a small loudspeaker) towards the upper right of
 the page.
 
 (ii) Using iPlayer after the second broadcast has finished. Go to the
 programme page at http://www.bbc.co.uk/programmes/b01p0s9s and click
 on the Listen now button on the left of the picture illustrating the
 programme. In principle this should become available within a few
 minutes of the end of the second broadcast (i.e. soon after 22:00 UK
 time), but sometimes there is a longer delay of up to an hour. It won't
 expire, so you can always listen on another day.
 
 (iii) Download a podcast in mp3 format from
 http://www.bbc.co.uk/podcasts/series/iot. This will become available
 sometime after the second broadcast has finished, but it could be a day
 or two afterwards. These podcasts also don't expire or disappear: you
 can download them years after the original broadcasts.
 
 Options (ii) and (iii) will get you the full rather than the shortened
 version of the programme.
 
 Regards,
 Peter.
 
 On Thu, 2012-11-22 at 10:30 +, Peter Keller wrote:
  Dear all,
 
  On Thursday next week, the BBC radio program In Our Time will be
  discussing the history of crystallography. The link to the program is
  http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it doesn't
 say
  who the guests are, but they usually manage to find people with
 something
  interesting to say, even if the presenter Melvyn Bragg's grasp of
 scientific
  material isn't always that great.
 
  I think that from outside the UK it is possible to listen live from
 the link
  above, and that a day or two after the broadcast a podcast will be
 available
  to download from http://www.bbc.co.uk/podcasts/series/iot.
 
  Regards,
  Peter.
 
 
 --
 Peter Keller Tel.: +44 (0)1223
 353033
 Global Phasing Ltd., Fax.: +44 (0)1223
 366889
 Sheraton House,
 Castle Park,
 Cambridge CB3 0AX
 United Kingdom


Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Miri Hirshberg

On Thu, 22 Nov 2012, George T. DeTitta wrote:


Does anyone happen to know if BBC4 broadcasts over the web?

George DeTitta
HWI / UB


bbc.co.uk/iplayer then radio and BBC4
they keep stuff for 7 days

M.


Sent via BlackBerry by ATT

-Original Message-
From: Martyn Winn martyn.w...@stfc.ac.uk
Sender: CCP4 bulletin board CCP4BB@JISCMAIL.AC.UK
Date: Thu, 22 Nov 2012 14:12:37
To: CCP4BB@JISCMAIL.AC.UK
Reply-To: martyn.w...@stfc.ac.uk
Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week

I'd just like to comment that In Our Time is usually pretty good. I caught the 
end of this morning's program on the Borgias. After hearing about murder, 
nepotism and incest, it was a bit disorientating to hear Melvyn announce 
crystallography as the next subject :)

m


-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Peter Keller
Sent: 22 November 2012 13:52
To: ccp4bb
Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week

Dear all,

I have had several queries about this off-list, so here are some
clarifications.

I don't know if Melvyn Bragg is related to WL and WH Bragg. I doubt it,
but if he is maybe he will say. (Bragg is a fairly common name in
English.)

The normal subject matter of In Our Time is humanities-based (i.e.
art, history, philosophy etc.), but they deal with scientific or
mathematical subjects occasionally.

There are two live broadcasts, at 09:00 and 21:30 UK time. The later
one
is a shortened version (edited from about 42 mins to about 28), so
better to listen to the earlier one if you can.

There are three options for listening other than the terrestrial radio
broadcast. All should work outside the UK (restrictions on using the
BBC
iPlayer overseas mostly apply only to television, or on the radio to
certain special broadcasts such as some sporting events).

(i) Live on the internet at the times above: go to the programme page
at
http://www.bbc.co.uk/programmes/b01p0s9s and click on the LISTEN
icon (with a picture of a small loudspeaker) towards the upper right of
the page.

(ii) Using iPlayer after the second broadcast has finished. Go to the
programme page at http://www.bbc.co.uk/programmes/b01p0s9s and click
on the Listen now button on the left of the picture illustrating the
programme. In principle this should become available within a few
minutes of the end of the second broadcast (i.e. soon after 22:00 UK
time), but sometimes there is a longer delay of up to an hour. It won't
expire, so you can always listen on another day.

(iii) Download a podcast in mp3 format from
http://www.bbc.co.uk/podcasts/series/iot. This will become available
sometime after the second broadcast has finished, but it could be a day
or two afterwards. These podcasts also don't expire or disappear: you
can download them years after the original broadcasts.

Options (ii) and (iii) will get you the full rather than the shortened
version of the programme.

Regards,
Peter.

On Thu, 2012-11-22 at 10:30 +, Peter Keller wrote:

Dear all,

On Thursday next week, the BBC radio program In Our Time will be
discussing the history of crystallography. The link to the program is
http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it doesn't

say

who the guests are, but they usually manage to find people with

something

interesting to say, even if the presenter Melvyn Bragg's grasp of

scientific

material isn't always that great.

I think that from outside the UK it is possible to listen live from

the link

above, and that a day or two after the broadcast a podcast will be

available

to download from http://www.bbc.co.uk/podcasts/series/iot.

Regards,
Peter.



--
Peter Keller Tel.: +44 (0)1223
353033
Global Phasing Ltd., Fax.: +44 (0)1223
366889
Sheraton House,
Castle Park,
Cambridge CB3 0AX
United Kingdom




Thurs Nov. 22nd, 2012
EBI


Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Peter Keller
On Thu, 2012-11-22 at 14:59 +, Miri Hirshberg wrote:
 On Thu, 22 Nov 2012, George T. DeTitta wrote:
 
  Does anyone happen to know if BBC4 broadcasts over the web?
 
  George DeTitta
  HWI / UB
 
 bbc.co.uk/iplayer then radio and BBC4
 they keep stuff for 7 days

Some programmes (including this series) are available indefinitely. The
expiry date is given as 1 Jan 2099, so there is no rush :-).  You can
browse the archive here
http://www.bbc.co.uk/radio4/features/in-our-time/archive/: it goes
back to 2004.

Regards,
Peter.

 
 M.
 
  Sent via BlackBerry by ATT
 
  -Original Message-
  From: Martyn Winn martyn.w...@stfc.ac.uk
  Sender: CCP4 bulletin board CCP4BB@JISCMAIL.AC.UK
  Date: Thu, 22 Nov 2012 14:12:37
  To: CCP4BB@JISCMAIL.AC.UK
  Reply-To: martyn.w...@stfc.ac.uk
  Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week
 
  I'd just like to comment that In Our Time is usually pretty good. I caught 
  the end of this morning's program on the Borgias. After hearing about 
  murder, nepotism and incest, it was a bit disorientating to hear Melvyn 
  announce crystallography as the next subject :)
 
  m
 
  -Original Message-
  From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
  Peter Keller
  Sent: 22 November 2012 13:52
  To: ccp4bb
  Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week
 
  Dear all,
 
  I have had several queries about this off-list, so here are some
  clarifications.
 
  I don't know if Melvyn Bragg is related to WL and WH Bragg. I doubt it,
  but if he is maybe he will say. (Bragg is a fairly common name in
  English.)
 
  The normal subject matter of In Our Time is humanities-based (i.e.
  art, history, philosophy etc.), but they deal with scientific or
  mathematical subjects occasionally.
 
  There are two live broadcasts, at 09:00 and 21:30 UK time. The later
  one
  is a shortened version (edited from about 42 mins to about 28), so
  better to listen to the earlier one if you can.
 
  There are three options for listening other than the terrestrial radio
  broadcast. All should work outside the UK (restrictions on using the
  BBC
  iPlayer overseas mostly apply only to television, or on the radio to
  certain special broadcasts such as some sporting events).
 
  (i) Live on the internet at the times above: go to the programme page
  at
  http://www.bbc.co.uk/programmes/b01p0s9s and click on the LISTEN
  icon (with a picture of a small loudspeaker) towards the upper right of
  the page.
 
  (ii) Using iPlayer after the second broadcast has finished. Go to the
  programme page at http://www.bbc.co.uk/programmes/b01p0s9s and click
  on the Listen now button on the left of the picture illustrating the
  programme. In principle this should become available within a few
  minutes of the end of the second broadcast (i.e. soon after 22:00 UK
  time), but sometimes there is a longer delay of up to an hour. It won't
  expire, so you can always listen on another day.
 
  (iii) Download a podcast in mp3 format from
  http://www.bbc.co.uk/podcasts/series/iot. This will become available
  sometime after the second broadcast has finished, but it could be a day
  or two afterwards. These podcasts also don't expire or disappear: you
  can download them years after the original broadcasts.
 
  Options (ii) and (iii) will get you the full rather than the shortened
  version of the programme.
 
  Regards,
  Peter.
 
  On Thu, 2012-11-22 at 10:30 +, Peter Keller wrote:
  Dear all,
 
  On Thursday next week, the BBC radio program In Our Time will be
  discussing the history of crystallography. The link to the program is
  http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it doesn't
  say
  who the guests are, but they usually manage to find people with
  something
  interesting to say, even if the presenter Melvyn Bragg's grasp of
  scientific
  material isn't always that great.
 
  I think that from outside the UK it is possible to listen live from
  the link
  above, and that a day or two after the broadcast a podcast will be
  available
  to download from http://www.bbc.co.uk/podcasts/series/iot.
 
  Regards,
  Peter.
 
 
  --
  Peter Keller Tel.: +44 (0)1223
  353033
  Global Phasing Ltd., Fax.: +44 (0)1223
  366889
  Sheraton House,
  Castle Park,
  Cambridge CB3 0AX
  United Kingdom
 
 
 Thurs Nov. 22nd, 2012
 EBI

-- 
Peter Keller Tel.: +44 (0)1223 353033
Global Phasing Ltd., Fax.: +44 (0)1223 366889
Sheraton House,
Castle Park,
Cambridge CB3 0AX
United Kingdom


Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Dr. Isabel De Moraes
Deal All,

Like many others, I also would like to encourage to listen the  “In Our Time” 
BBC Radio 4 program next week as part of the Bragg Centenary Celebration.

Melvyn will have Prof Mike Glazer (Oxford), Dr Chris Hammond (Leeds) and Prof 
Judith Howard (Durham) as guests.

A subject not to be missed to those who like to called of crystallographers.

Isabel Moraes




On 22 Nov 2012, at 14:28, Martin Walsh wrote:

Martyn, your selling in our time short...I'd say it's always b*$($ brilliant! 
-interesting to see who his guests will be next week to discuss the history of 
crystallography.
Bragg is the chancellor of Leeds university so it all fits rather well!
M


-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Martyn 
Winn
Sent: 22 November 2012 14:13
To: ccp4bb
Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week

I'd just like to comment that In Our Time is usually pretty good. I caught the 
end of this morning's program on the Borgias. After hearing about murder, 
nepotism and incest, it was a bit disorientating to hear Melvyn announce 
crystallography as the next subject :)

m

-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Peter Keller
Sent: 22 November 2012 13:52
To: ccp4bb
Subject: Re: [ccp4bb] Crystallography on BBC Radio 4 next week

Dear all,

I have had several queries about this off-list, so here are some
clarifications.

I don't know if Melvyn Bragg is related to WL and WH Bragg. I doubt
it, but if he is maybe he will say. (Bragg is a fairly common name in
English.)

The normal subject matter of In Our Time is humanities-based (i.e.
art, history, philosophy etc.), but they deal with scientific or
mathematical subjects occasionally.

There are two live broadcasts, at 09:00 and 21:30 UK time. The later
one is a shortened version (edited from about 42 mins to about 28), so
better to listen to the earlier one if you can.

There are three options for listening other than the terrestrial radio
broadcast. All should work outside the UK (restrictions on using the
BBC iPlayer overseas mostly apply only to television, or on the radio
to certain special broadcasts such as some sporting events).

(i) Live on the internet at the times above: go to the programme page
at http://www.bbc.co.uk/programmes/b01p0s9s and click on the
LISTEN
icon (with a picture of a small loudspeaker) towards the upper right
of the page.

(ii) Using iPlayer after the second broadcast has finished. Go to the
programme page at http://www.bbc.co.uk/programmes/b01p0s9s and click
on the Listen now button on the left of the picture illustrating the
programme. In principle this should become available within a few
minutes of the end of the second broadcast (i.e. soon after 22:00 UK
time), but sometimes there is a longer delay of up to an hour. It
won't expire, so you can always listen on another day.

(iii) Download a podcast in mp3 format from
http://www.bbc.co.uk/podcasts/series/iot. This will become available
sometime after the second broadcast has finished, but it could be a
day or two afterwards. These podcasts also don't expire or disappear:
you can download them years after the original broadcasts.

Options (ii) and (iii) will get you the full rather than the shortened
version of the programme.

Regards,
Peter.

On Thu, 2012-11-22 at 10:30 +, Peter Keller wrote:
Dear all,

On Thursday next week, the BBC radio program In Our Time will be
discussing the history of crystallography. The link to the program
is http://www.bbc.co.uk/programmes/b01p0s9s. Unfortunately, it
doesn't
say
who the guests are, but they usually manage to find people with
something
interesting to say, even if the presenter Melvyn Bragg's grasp of
scientific
material isn't always that great.

I think that from outside the UK it is possible to listen live from
the link
above, and that a day or two after the broadcast a podcast will be
available
to download from http://www.bbc.co.uk/podcasts/series/iot.

Regards,
Peter.


--
Peter Keller Tel.: +44 (0)1223
353033
Global Phasing Ltd., Fax.: +44 (0)1223
366889
Sheraton House,
Castle Park,
Cambridge CB3 0AX
United Kingdom




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Re: [ccp4bb] How to exclude resolution bins

2012-11-22 Thread Ed Pozharski

On 11/22/2012 03:40 AM, Wei Feng wrote:

Dear all
An ice ring is found in the raw image files and the resolution range 
is from 3.70-3.57A.

I want to remove this ice ring by excluding the reolution bin.
Can anyone tell me how to do?
Thanks a lot !
Wei Feng




iMosflm has the ice ring exclusion option (button with the snowflake and 
an x mark)


--
Oh, suddenly throwing a giraffe into a volcano to make water is crazy?
Julian, King of Lemurs



[ccp4bb] Call for Senior scientist position in the field of Structural Biology, Illkirch, CU Strasbourg, France

2012-11-22 Thread alberto podjarny


Call for Senior scientist position in the field of Structural Biology,
Illkirch, CU Strasbourg,France



The IGBMC (Institute of Genetics and Molecular and Cell Biology, Illkirch,
France) is launching a Call for the recruitment of a senior scientist in
the field of Structural Biology. We aim at reinforcing the Integrated
Structural Biology department through the recruitment of an outstanding
scientist who will play an important role in shaping the future scientific
directions of the department. The candidate will benefit from an
internationally competitive and attractive package that has been issued
through the French Laboratory of Excellence initiative. Moreover, the
building phase of the new integrative biology center (
http://www.igbmc.fr/grandesstructures/cbi/) will be completed in May 2013
and will contribute to the attractiveness of the IGBMC campus, offering a
cutting-edge technological environment to better understand the functioning
of biological systems across scales.

Candidates are invited to submit a single file including their Curriculum
Vitae with complete bibliography and a single page letter describing their
scientific objectives to labex-i...@igbmc.fr, subject line Labex 01.

-- 
Alberto D. Podjarny
Directeur de Recherche CNRS
IGBMC
1, rue Laurent Fries
67404 Illkirch
TE: (33) 3 88 65 33 11
FAX: (33) 3 88 65 32 01
Mobile: (33) 6 11 65 31 92


Re: [ccp4bb] Equilibrium Relative Humidity matching

2012-11-22 Thread Matthew Bowler

Dear Patrick,
this issue of matching relative humidity values to crystallisation 
solutions had us scratching our heads for quite some time - we ended up 
measuring a whole series of concentrations of PEGs and salts - when 
discussing this with a particle physicist of my acquaintance he pointed 
out Raoult's Law.  He showed in 1887 (coincidentally in Grenoble) that 
the relationship between the RH above a solution is dependent on the mol 
fraction of water.  This leads to a counter-intuitive observation - it 
is only the number of molecules in solution that affect the RH and not 
the type of molecule/ion - therefore one molecule of glycerol has the 
same contribution as a chloride ion or anything else.  This means that 
there is no effect for charge etc.  What does matter is how many species 
the salt dissociates into - this means that a given concentration of 
sodium malonate (3 species) will have a lower RH than ammonium sulphate 
(2 species (NH4+ and (NH4SO4)-) and not 3 as might be expected). 
Raoult's law breaks down for polymers over 1000Da but this can be 
corrected using the Flory-Huggins model for the entropy of mixing of 
polymers - this has the interesting effect that all PEGs over 1000Da 
will have almost the same RH for a given concentration and that for the 
concentrations typical in crystallisation, the difference in RH between 
the well and reservoir is so small the experiment is essentially 
microbatch out of oil.


MgSO4 does seem to be an outlier in your measurements - but not in 
Raoult's law - I wonder if it has odd behavior in solution - I will look 
into it.


Cheers, Matt.



On 22/11/2012 18:32, Patrick Shaw Stewart wrote:


Matt

My old Rubber Book (Handbook of Physics and Chemistry, 1976) has a 
table (attached) showing the lowering of vapor pressure by salts in 
aqueous solution, taken from the Smithsonian Tables.


I've never been able to make any sense of it in terms of cations, 
anions, valency, or charge density (position in Hofmeister series), 
whether concentrations are expressed as M or N solutions.


For example, of the salts mentioned on your website, MgSO4 seems to be 
anomalous.


My spreadsheet also has a little converter that my colleague wrote 
many years ago to convert vapor diffusion conditions to batch.  This 
might be of interest to people who have to work in batch, e.g. people 
making crystals for X-FEL data collection.  You can download it as a 
program from http://www.douglas.co.uk/vdtomb/vdtomb.htm - it seems to 
work pretty well.


Best wishes

Patrick





On 22 November 2012 12:11, Matthew Bowler mbow...@embl.fr 
mailto:mbow...@embl.fr wrote:


Dear All,
after a few requests, I have now added equations to the online
calculator that uses Raoult's law to calculate the relative
humidity equilibria for precipitant solutions (see
http://go.esrf.eu/RH). The new equations (4 and 5) allow the
calculation of salt concentrations that will be in equilibrium
with a certain PEG or other molecule solution - this will allow
slow and controlled dehydration experiments to be designed in
vapour diffusion plates, by slowly increasing the salt
concentration in the reservoir above the equilibrium and thereby
reducing the amount of water in the crystallisation drop by a
controlled amount.   Hope it is useful, cheers, Matt.

-- 
Matthew Bowler

Synchrotron Science Group
European Molecular Biology Laboratory
BP 181, 6 rue Jules Horowitz
38042 Grenoble Cedex 9
France
===
Tel: +33 (0) 4.76.20.76.37 tel:%2B33%20%280%29%204.76.20.76.37
Fax: +33 (0) 4.76.88.29.04 tel:%2B33%20%280%29%204.76.88.29.04

http://www.embl.fr/
===




--
patr...@douglas.co.uk mailto:patr...@douglas.co.ukDouglas 
Instruments Ltd.

 Douglas House, East Garston, Hungerford, Berkshire, RG17 7HD, UK
 Directors: Peter Baldock, Patrick Shaw Stewart

http://www.douglas.co.uk
 Tel: 44 (0) 148-864-9090US toll-free 1-877-225-2034
 Regd. England 2177994, VAT Reg. GB 480 7371 36



--
Matthew Bowler
Synchrotron Science Group
European Molecular Biology Laboratory
BP 181, 6 rue Jules Horowitz
38042 Grenoble Cedex 9
France
===
Tel: +33 (0) 4.76.20.76.37
Fax: +33 (0) 4.76.88.29.04

http://www.embl.fr/
===