Re: [ccp4bb] quote source

2008-07-24 Thread Miller, Mitchell D.
Hi Bernhard,
 
Google books is your friend...
It returns 2 hits for 
Although the hydrogen bond is not strong it has great significance in
determining the properties of substances. Because of its small bond energy

Both are essays / chapters by Max Perutz 
 I Wish I'd Made You Angry Earlier: Essays on Science, Scientists, and Humanity 
- Page 166 
has the quote attributed to Pauling but without reference.
http://books.google.com/books?id=GkODMkCWndQCpg=PA166dq=%22Although+the+hydrogen+bond+is+not+strong+it+has+great+significance+in+determining+the+properties+of+substances.+Because+of+its+small+bond+energy%22sig=ACfU3U0HC6n1toHJgD9Z-bedRSs7eVvz8Q

And 
 Pioneering Ideas for the Physical and Chemical Sciences: Josef Loschmidt's ... 
- Page 1
by W. Fleischhacker, Thomas Schönfeld  
has a chapter titled The significance of the hydrogen bond for physiology by 
Max Perutz 
where the quote is attributed to being from Pauling's newly published Nature 
of the Chemical Bond 
which Perutz obtained with a Christmas 1939 book token so I presume it was 
the 1940 version.
http://books.google.com/books?id=cMc9BHNyIWsCpg=PA1lpg=PA1dq=%22Although+the+hydrogen+bond+is+not+strong+it+has+great+significance+in+determining+the+properties+of+substances.+Because+of+its+small+bond+energy%22source=webots=sU9k_3dU9wsig=3ZCCE8u8ZpLBa-ycU2v0eT1s4oghl=ensa=Xoi=book_resultresnum=2ct=result
 

The 1960 version of Pauling's book is on Google books and it has a similar but 
not identical statement.
see pp. 449-450.
http://books.google.com/books?id=L-1K9HmKmUUCprintsec=titlepagedq=Nature+of+the+Chemical+Bond+Paulingsource=gbs_toc_scad=1#PPA449,M1

Regards,
Mitch

-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Bernhard Rupp
Sent: Wednesday, July 23, 2008 10:26 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] quote source

Dear All,

does someone know the proper reference of this L. Pauling statement?

Although the hydrogen bond is not strong it has great significance in
determining the properties of substances. Because of its small bond energy
and the small activation energy involved in its formation and rupture, the
hydrogen bond is especially suited to play a part in reactions occurring at
normal temperatures. It has been recognised that hydrogen bonds restrain
protein molecules to their native configurations, and I believe that as the
methods of structural chemistry are further applied to physiological
problems it will be found that the significance of the hydrogen bond for
physiology is greater than that of any other single structural feature. 

It is quoted by Perutz but no ref

Thx, br

-
Bernhard Rupp
001 (925) 209-7429
+43 (676) 571-0536
[EMAIL PROTECTED]
[EMAIL PROTECTED] 
http://www.ruppweb.org/ 
-
The hard part about playing chicken
is to know when to flinch
-


Re: [ccp4bb] quote source

2008-07-24 Thread William G. Scott
http://books.google.com/books?id=cMc9BHNyIWsCpg=PA1lpg=PA1dq=%22Although+the+hydrogen+bond+is+not+strong+it+has+great+significance+in%0Adetermining+the+properties+of+substances.+Because+of+its+small+bond+energy%0Aand+the+small+activation+energy+involved+in+its+formation+and+rupture,+the%0Ahydrogen+bond+is+especially+suited+to+play+a+part+in+reactions+occurring+at%0Anormal+temperatures.+It+has+been+recognised+that+hydrogen+bonds+restrain%0Aprotein+molecules+to+their+native+configurations,+and+I+believe+that+as+the%0Amethods+of+structural+chemistry+are+further+applied+to+physiological%0Aproblems+it+will+be+found+that+the+significance+of+the+hydrogen+bond+for%0Aphysiology+is+greater+than+that+of+any+other+single+structural+feature%22.source=webots=sU9k_3eR9Dsig=870tcfA9OiSTbGFiUk9cpExFslshl=ensa=Xoi=book_resultresnum=2ct=result 



or

http://tinyurl.com/linusp




On Jul 23, 2008, at 10:26 PM, Bernhard Rupp wrote:


Although the hydrogen bond is not strong it has great significance in
determining the properties of substances. Because of its small bond  
energy
and the small activation energy involved in its formation and  
rupture, the
hydrogen bond is especially suited to play a part in reactions  
occurring at
normal temperatures. It has been recognised that hydrogen bonds  
restrain
protein molecules to their native configurations, and I believe that  
as the

methods of structural chemistry are further applied to physiological
problems it will be found that the significance of the hydrogen bond  
for
physiology is greater than that of any other single structural  
feature.


Re: [ccp4bb] Acorn question

2008-07-24 Thread Martyn Winn
Sounds like a bug. Curing the symptoms won't help 

You should send full details to [EMAIL PROTECTED]

Since CCP4 6.0.x there has been a substantially new version of Acorn.
Source code at
http://www.ccp4.ac.uk/download/prerelease_page.php#acorn
or try our test 6.1 release ...

Martyn

On Wed, 2008-07-23 at 13:15 -0400, [EMAIL PROTECTED] wrote:
 All,
 
 In the past couple of days I have been trying to use Acorn (in the
 CCP4 suite of programs). Consistently it starts up fine and after some
 small amount of time (5-10 minutes) it has taken up all the physical
 memory and then it starts to slowly gobble up all the swap space until
 the only option is to switch the computer off, since all processes
 (including X and such) are being pushed out of memory and they somehow
 are not swapped back in. 
 
 Is there a way to restrict the amount of memory that Acorn is allowed
 to use? Any other suggestions? Parameters to restrict memory I do not
 see and the Acorn web page does also not mention that they exist,
 neither does it have any suggestions what to do.
 
 We are using CentOS operating system on 64-bit hardware (I think
 CentOS is vanilla Linux but 64-bit may not be vanilla). We are using
 CCP4 version 6.0.
 
 Any suggestions are appreciated.
 
 Thanks,
 
 Mark
 
 Mark van der Woerd, PhD
 
 Research Scientist II
 
 Dept. of Biochemistry and Molecular Biology
 
 Colorado State University
 
 Fort Collins, CO 80523
 
 Phone (970) 491-0469
 
 
 __
 The Famous, the Infamous, the Lame - in your browser. Get the TMZ
 Toolbar Now! 
-- 
***
* *
*   Dr. Martyn Winn   *
* *
*   STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K.   *
*   Tel: +44 1925 603455E-mail: [EMAIL PROTECTED] *
*   Fax: +44 1925 603825Skype name: martyn.winn   * 
* URL: http://www.ccp4.ac.uk/martyn/  *
***


Re: [ccp4bb] microfluidics in protein crystallography

2008-07-24 Thread Ian Tickle
Also while we're on the subject of novel crystallisation tricks, does anyone 
out there have any first-hand impressions of this technique:

http://jjap.ipap.jp/link?JJAP/44/1365/

Cheers

-- Ian

 -Original Message-
 From: [EMAIL PROTECTED] 
 [mailto:[EMAIL PROTECTED] On Behalf Of Isabel Garcia-Saez
 Sent: 22 July 2008 10:34
 To: CCP4BB@JISCMAIL.AC.UK
 Subject: microfluidics in protein crystallography
 
 Dear CCP4ers,
 
 I would like to have more info about microfluidics in protein 
 xtallography: has anyone out there used it with success?. 
 Thanks,
 
 Isabel
 
 
 
 
 Isabel Garcia-Saez PhD
 
 Institut de Biologie Structurale Jean-Pierre Ebel
 
 Laboratoire des Protéines du Cytosquelette
 
 41, rue Jules Horowitz
 
 F-38027 Grenoble CEDEX 1
 
 France
 
 tel.: 00-33-438 789615
 
 FAX:  00-33-438 785494
 
 e-mail: [EMAIL PROTECTED]
 
 http://www.ibs.fr
 
 
 
 
 
 


Disclaimer
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[ccp4bb] Renumber atoms with Moleman

2008-07-24 Thread Marta Martínez
Dear all

I can not read a pdb file in Moleman due probably to double conformation in
some residues in my pdb.  Then,  I am not able to renumber the atoms to send
the structure to Protein Data Bank.
Can anyone help me?.

Thanks for your attention

Marta


Dr. Marta Martínez Júlvez
Departamento de Bioquímica y Biología Molecular y Celular
Facultad de Ciencias
Universidad de Zaragoza
Pedro Cerbuna 12
50009-Zaragoza
Spain

Phone: +34 976 762841/1287
Fax: +34 976 762123

e-mail: [EMAIL PROTECTED]


Re: [ccp4bb] quote source

2008-07-24 Thread Frances C. Bernstein

Hi Bernard,

 I googled the phrase 'hydrogen bond for physiology and
got lots of results as many people have cited that paragraph.
But the following result should give you what you need.
http://books.google.com/books?id=OnSG9cMHqnkCpg=PA851lpg=PA851dq=%22hydrogen+bond+for+physiology%22source=webots=bRKyaTlA5ysig=diWzE3c6AQmQbwgE7GWDpwUGEZchl=ensa=Xoi=book_resultresnum=4ct=result

  Frances

=
Bernstein + Sons
*   *   Information Systems Consultants
5 Brewster Lane, Bellport, NY 11713-2803
*   * ***
 *Frances C. Bernstein
  *   ***  [EMAIL PROTECTED]
 *** *
  *   *** 1-631-286-1339FAX: 1-631-286-1999
=

On Wed, 23 Jul 2008, Bernhard Rupp wrote:


Dear All,

does someone know the proper reference of this L. Pauling statement?

Although the hydrogen bond is not strong it has great significance in
determining the properties of substances. Because of its small bond energy
and the small activation energy involved in its formation and rupture, the
hydrogen bond is especially suited to play a part in reactions occurring at
normal temperatures. It has been recognised that hydrogen bonds restrain
protein molecules to their native configurations, and I believe that as the
methods of structural chemistry are further applied to physiological
problems it will be found that the significance of the hydrogen bond for
physiology is greater than that of any other single structural feature.

It is quoted by Perutz but no ref

Thx, br

-
Bernhard Rupp
001 (925) 209-7429
+43 (676) 571-0536
[EMAIL PROTECTED]
[EMAIL PROTECTED]
http://www.ruppweb.org/
-
The hard part about playing chicken
is to know when to flinch
-



Re: [ccp4bb] os x wiki

2008-07-24 Thread Graeme Winter
Hi Folks,

Following on from this, does anyone have a copy of the information on
how to get coot working in intel mac 10.5.x? I downloaded the linked
disk image and coot tarball, planning to print the instructions the
following day.

As Homer would say, D'Oh!

Just the place you are supposed to unpack the tarball to would be a
valuable pointer - it was somewhere specific I remember...

Many thanks,

Graeme

2008/7/23 William Scott [EMAIL PROTECTED]:
 Hi Patrick:

 I'm afraid all the insidious stupidness originates from moi.  Anyway, the
 machine hosting this thing has a roached power supply, thanks to the fact
 that the University electrical supply resembles that produced by, in terms
 of its stability and reliability, an underfed gerbil-wheel-powered generator
 in Guatemala. So we ordered a new one from Apple, and hopefully within the
 next three or four years I will have it back on line.

 I backed up the mysql database for the wiki every day, but I can't get it to
 work on any other computer, doubtless due to my complete inability to follow
 simple instructions or to remember any of the passwords I had used. Hence
 the first sentence.

 Sorry 'bout this.

 Bill


 William G. Scott

 Contact info:
 http://chemistry.ucsc.edu/~wgscott/


 On Jul 23, 2008, at 12:27 PM, Patrick Loll wrote:

 Does anyone know if the Crystallography on OS X Wiki is down?  I haven't
 been able to access the site for a few days, but I don't know if the site is
 down, or if some new and insidious stupidness has been perpetrated by the
 rocket scientists who control IT in our institution...thanks.

 Pat


 ---
 Patrick J. Loll, Ph. D.
 Professor of Biochemistry  Molecular Biology
 Director, Biochemistry Graduate Program
 Drexel University College of Medicine
 Room 10-102 New College Building
 245 N. 15th St., Mailstop 497
 Philadelphia, PA  19102-1192  USA

 (215) 762-7706
 [EMAIL PROTECTED]




[ccp4bb] light-zapped crystallization

2008-07-24 Thread Jacob Keller
Doesn't the technique in that paper seem like just a fancy way to elevate 
the temperature briefly? What else could zapping with a 780 nm laser do? 
Also, it seems that since N = 1, the technique is way too nascent (and it 
might be stillborn) to be applied.


Jacob Keller

***
Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
Dallos Laboratory
F. Searle 1-240
2240 Campus Drive
Evanston IL 60208
lab: 847.491.2438
cel: 773.608.9185
email: [EMAIL PROTECTED]
***

- Original Message - 
From: Ian Tickle [EMAIL PROTECTED]

To: CCP4BB@JISCMAIL.AC.UK
Sent: Thursday, July 24, 2008 4:52 AM
Subject: Re: [ccp4bb] microfluidics in protein crystallography


Also while we're on the subject of novel crystallisation tricks, does anyone 
out there have any first-hand impressions of this technique:


http://jjap.ipap.jp/link?JJAP/44/1365/

Cheers

-- Ian


-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of Isabel Garcia-Saez
Sent: 22 July 2008 10:34
To: CCP4BB@JISCMAIL.AC.UK
Subject: microfluidics in protein crystallography

Dear CCP4ers,

I would like to have more info about microfluidics in protein
xtallography: has anyone out there used it with success?.
Thanks,

Isabel




Isabel Garcia-Saez PhD

Institut de Biologie Structurale Jean-Pierre Ebel

Laboratoire des Protéines du Cytosquelette

41, rue Jules Horowitz

F-38027 Grenoble CEDEX 1

France

tel.: 00-33-438 789615

FAX:  00-33-438 785494

e-mail: [EMAIL PROTECTED]

http://www.ibs.fr









Disclaimer
This communication is confidential and may contain privileged information 
intended solely for the named addressee(s). It may not be used or disclosed 
except for the purpose for which it has been sent. If you are not the 
intended recipient you must not review, use, disclose, copy, distribute or 
take any action in reliance upon it. If you have received this communication 
in error, please notify Astex Therapeutics Ltd by emailing 
[EMAIL PROTECTED] and destroy all copies of the message and 
any attached documents.
Astex Therapeutics Ltd monitors, controls and protects all its messaging 
traffic in compliance with its corporate email policy. The Company accepts 
no liability or responsibility for any onward transmission or use of emails 
and attachments having left the Astex Therapeutics domain.  Unless expressly 
stated, opinions in this message are those of the individual sender and not 
of Astex Therapeutics Ltd. The recipient should check this email and any 
attachments for the presence of computer viruses. Astex Therapeutics Ltd 
accepts no liability for damage caused by any virus transmitted by this 
email. E-mail is susceptible to data corruption, interception, unauthorized 
amendment, and tampering, Astex Therapeutics Ltd only send and receive 
e-mails on the basis that the Company is not liable for any such alteration 
or any consequences thereof.
Astex Therapeutics Ltd., Registered in England at 436 Cambridge Science 
Park, Cambridge CB4 0QA under number 3751674


Re: [ccp4bb] os x wiki

2008-07-24 Thread William G. Scott
Thanks to the incredibly helpful generosity of Hari Jayaram at  
Brandeis, we have it now at


http://sage.ucsc.edu/xtal/wiki

This will soon be aliased to the url http://xanana.ucsc.edu/xtal/wiki





On Jul 23, 2008, at 12:27 PM, Patrick Loll wrote:

Does anyone know if the Crystallography on OS X Wiki is down?  I  
haven't been able to access the site for a few days, but I don't  
know if the site is down, or if some new and insidious stupidness  
has been perpetrated by the rocket scientists who control IT in our  
institution...thanks.


Pat

---
Patrick J. Loll, Ph. D. 
Professor of Biochemistry  Molecular Biology
Director, Biochemistry Graduate Program
Drexel University College of Medicine
Room 10-102 New College Building
245 N. 15th St., Mailstop 497
Philadelphia, PA  19102-1192  USA

(215) 762-7706
[EMAIL PROTECTED]