[ccp4bb] Why the name aimless

2013-05-02 Thread Roberto Battistutta
Hi everyone,
just a curiosity, why the name aimless for the recent data reduction and 
analysis program in CCP4? You know, my students are curious ...
Thank you,
Roberto.


Roberto Battistutta
Associate Professor
Department of Chemistry
University of Padua
via Marzolo 1, 35131 Padova - ITALY
tel. +39.049.827.5262
fax. +39.049.827.5829
roberto.battistu...@unipd.it
www.chimica.unipd.it/roberto.battistutta/
VIMM (Venetian Institute of Molecular Medicine)
via Orus 2, 35129 Padova - ITALY
tel. +39.049.7923.236
fax +39.049.7923.250
www.vimm.it


Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Phil Evans
Reference:
Gibbons, S. (1932) Cold Comfort Farm, Longmans, London

On 2 May 2013, at 11:07, Roberto Battistutta roberto.battistu...@unipd.it 
wrote:

 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction and 
 analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.
 
 
 Roberto Battistutta
 Associate Professor
 Department of Chemistry
 University of Padua
 via Marzolo 1, 35131 Padova - ITALY
 tel. +39.049.827.5262
 fax. +39.049.827.5829
 roberto.battistu...@unipd.it
 www.chimica.unipd.it/roberto.battistutta/
 VIMM (Venetian Institute of Molecular Medicine)
 via Orus 2, 35129 Padova - ITALY
 tel. +39.049.7923.236
 fax +39.049.7923.250
 www.vimm.it


Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Andreas Förster

Occasionally given to losing extremities.

is that a good thing?


Andreas


On 02/05/2013 11:10, Phil Evans wrote:

Reference:
Gibbons, S. (1932) Cold Comfort Farm, Longmans, London

On 2 May 2013, at 11:07, Roberto Battistutta roberto.battistu...@unipd.it 
wrote:


Hi everyone,
just a curiosity, why the name aimless for the recent data reduction and 
analysis program in CCP4? You know, my students are curious ...
Thank you,
Roberto.



Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Phil Evans
Entirely appropriate for data processing!

and Aimless is clearly some sort of optimisation program :-)

Phil

On 2 May 2013, at 11:31, Andreas Förster docandr...@gmail.com wrote:

 Occasionally given to losing extremities.
 
 is that a good thing?
 
 
 Andreas
 
 
 On 02/05/2013 11:10, Phil Evans wrote:
 Reference:
 Gibbons, S. (1932) Cold Comfort Farm, Longmans, London
 
 On 2 May 2013, at 11:07, Roberto Battistutta roberto.battistu...@unipd.it 
 wrote:
 
 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction and 
 analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.
 


Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Martyn Winn
I think Phil saw something nasty in the woodshed ...

HTH
Martyn

 -Original Message-
 From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
 Roberto Battistutta
 Sent: 02 May 2013 11:07
 To: ccp4bb
 Subject: [ccp4bb] Why the name aimless
 
 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction
 and analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.
 
 
 Roberto Battistutta
 Associate Professor
 Department of Chemistry
 University of Padua
 via Marzolo 1, 35131 Padova - ITALY
 tel. +39.049.827.5262
 fax. +39.049.827.5829
 roberto.battistu...@unipd.it
 www.chimica.unipd.it/roberto.battistutta/
 VIMM (Venetian Institute of Molecular Medicine) via Orus 2, 35129
 Padova - ITALY tel. +39.049.7923.236 fax +39.049.7923.250 www.vimm.it

-- 
Scanned by iCritical.



Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Antony Oliver
I thought it was just a logical pun progression from pointless to aimless.  

Perhaps the next program will be useless?

DISCLAIMER: This is intended as a JOKE...
I FULLY appreciate and use the wonderful programs generated by Phil.

Just in case I unintentionally start yet another CCP4bb flame-a-thon.

---
Dr Antony W Oliver
Senior Research Fellow
CR-UK DNA Repair Enzymes Group
Genome Damage and Stability Centre
Science Park Road
University of Sussex
Falmer, Brighton, BN1 9RQ

email: antony.oli...@sussex.ac.uk
tel (office): +44 (0)1273 678349
tel (lab): +44 (0)1273 677512

On May 2, 2013, at 11:23 AM, Martyn Winn wrote:

 I think Phil saw something nasty in the woodshed ...
 
 HTH
 Martyn
 
 -Original Message-
 From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
 Roberto Battistutta
 Sent: 02 May 2013 11:07
 To: ccp4bb
 Subject: [ccp4bb] Why the name aimless
 
 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction
 and analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.
 
 
 Roberto Battistutta
 Associate Professor
 Department of Chemistry
 University of Padua
 via Marzolo 1, 35131 Padova - ITALY
 tel. +39.049.827.5262
 fax. +39.049.827.5829
 roberto.battistu...@unipd.it
 www.chimica.unipd.it/roberto.battistutta/
 VIMM (Venetian Institute of Molecular Medicine) via Orus 2, 35129
 Padova - ITALY tel. +39.049.7923.236 fax +39.049.7923.250 www.vimm.it
 
 -- 
 Scanned by iCritical.
 


Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Ian Clifton
Martyn Winn martyn.w...@stfc.ac.uk writes:

 I think Phil saw something nasty in the woodshed ...

 HTH
 Martyn

 -Original Message-
 From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
 Roberto Battistutta
 Sent: 02 May 2013 11:07
 To: ccp4bb
 Subject: [ccp4bb] Why the name aimless
 
 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction
 and analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.

We mustn’t forget, we already have a name, due to Zbigniew Dauter, for a
future combination of pointless + aimless—“hopeless”.
-- 
Ian ◎


Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Bernhard Rupp
Occasionally given to losing extremities.

 is that a good thing?

Yes. Outlier removal

BR

Andreas


On 02/05/2013 11:10, Phil Evans wrote:
 Reference:
 Gibbons, S. (1932) Cold Comfort Farm, Longmans, London

 On 2 May 2013, at 11:07, Roberto Battistutta
roberto.battistu...@unipd.it wrote:

 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction
and analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.



Re: [ccp4bb] showing electron density on an ipad

2013-05-02 Thread David Roberts
Sorry - I went back to look at that.  The ipad app for pymol does not 
have an option to load a map.  You can only load structures.  I like 
that you can load your own structures (from a dropbox folder), that's 
nice.  It's very powerful, and I can do a lot with it, but I would like 
to show electron density and can't find a way.


I got good suggestions yesterday.  Imolview does work well for loading 
pdb files.  I don't have a way to get the browser that goes with it to 
run on my linux box. I tried it, but was unsuccessful, so I don't know 
if it displays density or not.  The CueMol does not show density.  So, 
both of these are nice for pdb files (I like Imolview better), but 
neither will easily show electron density.


I just want an app that will display a pdb file and a map file.  I can 
convert maps to whatever format is necessary (as long as it's 
crystallographic).  That I can't seem to find.


No worries.  Thanks for all the suggestions

Dave

On 5/2/2013 2:35 AM, Tim Gruene wrote:

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1

Hi Dave,

could you explain what you mean by it doesn't work? I understand
that you convert a ccp4 mtz-file to ccp4 map format (which pymol can
read) and load it into pymol on your ipad which does not display. Is
this correct? If so, do you get any error messages?

Could you use coot instead?

Best,
Tim

On 05/01/2013 09:56 PM, David Roberts wrote:

Hello all,

So, I find an ipad is a wonderful device for teaching (any tablet
really - but I'm partial to the ipad).  I can project it in a
classroom, run pymol and a few other chemistry/biochemistry things,
and really get the students interested in these subjects easily.  I
actually don't have a laptop - and our classrooms are such that
there are computers connected to the projectors but they have
standard University software packages installed on them.

It would be very helpful if I could just display electron density
using an ipad.  The pymol app will load a map (it is an option) -
but when I take a map from my linux machines it doesn't work.  Any
thoughts here? Has anybody done this

Thanks

Dave

- -- 
- --

Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

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Version: GnuPG v1.4.12 (GNU/Linux)
Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/

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Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Colbert, Christopher
That's right.  Useless always refers to us users. :)






On 5/2/13 5:45 AM, Ian Clifton ian.clif...@chem.ox.ac.uk wrote:

Martyn Winn martyn.w...@stfc.ac.uk writes:

 I think Phil saw something nasty in the woodshed ...

 HTH
 Martyn

 -Original Message-
 From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
 Roberto Battistutta
 Sent: 02 May 2013 11:07
 To: ccp4bb
 Subject: [ccp4bb] Why the name aimless
 
 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction
 and analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.

We mustn’t forget, we already have a name, due to Zbigniew Dauter, for a
future combination of pointless + aimless―“hopeless”.
-- 
Ian ◎



Re: [ccp4bb] detectors on home sources

2013-05-02 Thread Dworkowski Florian
I can not really speak for a home-source setup, but here at the SLS MX
group we run two Pilatus6M (one of which is the first Pilatus ever made)
and one Pilatus2M. In nearly four years since we installed the first one
we never had any hardware issue other than users damaging the case. So
I'd say the reliability of the DECTRIS detectors is excellent.
 
Cheers,
Florian

- 
Paul Scherrer Institut 
Dr. Florian Dworkowski 
Beamline Scientist X10SA 

Swiss Light Source 
WSLA/219 
5232 Villigen PSI 
Switzerland 

Phone +41 56 310 3584 
Fax +41 56 310 5292 
florian.dworkow...@psi.ch 
http://www.psi.ch/macromolecular-crystallography
blocked::http://www.psi.ch/macromolecular-crystallography  




From: Fareed Aboul-Ela [mailto:faboul...@zewailcity.edu.eg] 
Sent: Dienstag, 30. April 2013 21:01
Subject: detectors on home sources


I'm involved in advising my institute on an X-ray home source for a core
facility.  The vendors are offering some new configurations. Whatever
the claimed advantages/disadvantages, I'm hesitant to make a decision
without consulting someone with direct experience with them.  In
particular, has anyone had any experience with using the photon100
CMOS detector being offered by Bruker, or the pilatus 200K detector
being offered by Rigaku?  I'd also appreciate hearing from anyone with
experience with the latest Bruker microfocus rotating anode generator
(called the Turbo or TXS)?

Many thanks for sharing your experiences.

Fareed Aboul-ela
Associate Professor
Zewail University
Zewail City of Science and Technology
Giza, Egypt
faboul...@zewailcity.edu.eg



Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Ruslan Sanishvili (Nukri)
Oh no, that software is still in works and it is called clueless...
Cheers,
N.

- Original Message -
From: Christopher Colbert christopher.colb...@ndsu.edu
To: CCP4BB@JISCMAIL.AC.UK
Sent: Thursday, May 2, 2013 8:48:50 AM
Subject: Re: [ccp4bb] Why the name aimless

That's right.  Useless always refers to us users. :)






On 5/2/13 5:45 AM, Ian Clifton ian.clif...@chem.ox.ac.uk wrote:

Martyn Winn martyn.w...@stfc.ac.uk writes:

 I think Phil saw something nasty in the woodshed ...

 HTH
 Martyn

 -Original Message-
 From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
 Roberto Battistutta
 Sent: 02 May 2013 11:07
 To: ccp4bb
 Subject: [ccp4bb] Why the name aimless
 
 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction
 and analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.

We mustn’t forget, we already have a name, due to Zbigniew Dauter, for a
future combination of pointless + aimless—“hopeless”.
-- 
Ian ◎



Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Mark van Raaij
i.e. the next program will be Graceless or Feckless?

On 2 May 2013, at 12:10, Phil Evans wrote:

 Reference:
 Gibbons, S. (1932) Cold Comfort Farm, Longmans, London
 
 On 2 May 2013, at 11:07, Roberto Battistutta roberto.battistu...@unipd.it 
 wrote:
 
 Hi everyone,
 just a curiosity, why the name aimless for the recent data reduction and 
 analysis program in CCP4? You know, my students are curious ...
 Thank you,
 Roberto.
 
 
 Roberto Battistutta
 Associate Professor
 Department of Chemistry
 University of Padua
 via Marzolo 1, 35131 Padova - ITALY
 tel. +39.049.827.5262
 fax. +39.049.827.5829
 roberto.battistu...@unipd.it
 www.chimica.unipd.it/roberto.battistutta/
 VIMM (Venetian Institute of Molecular Medicine)
 via Orus 2, 35129 Padova - ITALY
 tel. +39.049.7923.236
 fax +39.049.7923.250
 www.vimm.it


Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Eric Williams
I've always thought gormless is a woefully underused word.

Eric

On Thu, May 2, 2013 at 11:53 AM, Mark van Raaij mjvanra...@cnb.csic.eswrote:

 i.e. the next program will be Graceless or Feckless?

 On 2 May 2013, at 12:10, Phil Evans wrote:

  Reference:
  Gibbons, S. (1932) Cold Comfort Farm, Longmans, London
 
  On 2 May 2013, at 11:07, Roberto Battistutta 
 roberto.battistu...@unipd.it wrote:
 
  Hi everyone,
  just a curiosity, why the name aimless for the recent data reduction
 and analysis program in CCP4? You know, my students are curious ...
  Thank you,
  Roberto.
 
 
  Roberto Battistutta
  Associate Professor
  Department of Chemistry
  University of Padua
  via Marzolo 1, 35131 Padova - ITALY
  tel. +39.049.827.5262
  fax. +39.049.827.5829
  roberto.battistu...@unipd.it
  www.chimica.unipd.it/roberto.battistutta/
  VIMM (Venetian Institute of Molecular Medicine)
  via Orus 2, 35129 Padova - ITALY
  tel. +39.049.7923.236
  fax +39.049.7923.250
  www.vimm.it



Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Jacob Keller
Moreorless?

Dolores?

JPK


On Thu, May 2, 2013 at 12:22 PM, Eric Williams ericwilli...@pobox.comwrote:

 I've always thought gormless is a woefully underused word.

 Eric


 On Thu, May 2, 2013 at 11:53 AM, Mark van Raaij mjvanra...@cnb.csic.eswrote:

 i.e. the next program will be Graceless or Feckless?

 On 2 May 2013, at 12:10, Phil Evans wrote:

  Reference:
  Gibbons, S. (1932) Cold Comfort Farm, Longmans, London
 
  On 2 May 2013, at 11:07, Roberto Battistutta 
 roberto.battistu...@unipd.it wrote:
 
  Hi everyone,
  just a curiosity, why the name aimless for the recent data reduction
 and analysis program in CCP4? You know, my students are curious ...
  Thank you,
  Roberto.
 
 
  Roberto Battistutta
  Associate Professor
  Department of Chemistry
  University of Padua
  via Marzolo 1, 35131 Padova - ITALY
  tel. +39.049.827.5262
  fax. +39.049.827.5829
  roberto.battistu...@unipd.it
  www.chimica.unipd.it/roberto.battistutta/
  VIMM (Venetian Institute of Molecular Medicine)
  via Orus 2, 35129 Padova - ITALY
  tel. +39.049.7923.236
  fax +39.049.7923.250
  www.vimm.it





-- 
***

Jacob Pearson Keller, PhD

Looger Lab/HHMI Janelia Farms Research Campus

19700 Helix Dr, Ashburn, VA 20147

email: kell...@janelia.hhmi.org

***


Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Roger Rowlett

Some of my undergraduate students need the CCP4 program feckless.

:)
___
Roger S. Rowlett
Gordon  Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346

tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: rrowl...@colgate.edu

On 5/2/2013 12:22 PM, Eric Williams wrote:

I've always thought gormless is a woefully underused word.

Eric

On Thu, May 2, 2013 at 11:53 AM, Mark van Raaij 
mjvanra...@cnb.csic.es mailto:mjvanra...@cnb.csic.es wrote:


i.e. the next program will be Graceless or Feckless?

On 2 May 2013, at 12:10, Phil Evans wrote:

 Reference:
 Gibbons, S. (1932) Cold Comfort Farm, Longmans, London

 On 2 May 2013, at 11:07, Roberto Battistutta
roberto.battistu...@unipd.it
mailto:roberto.battistu...@unipd.it wrote:

 Hi everyone,
 just a curiosity, why the name aimless for the recent data
reduction and analysis program in CCP4? You know, my students are
curious ...
 Thank you,
 Roberto.


 Roberto Battistutta
 Associate Professor
 Department of Chemistry
 University of Padua
 via Marzolo 1, 35131 Padova - ITALY
 tel. +39.049.827.5262 tel:%2B39.049.827.5262
 fax. +39.049.827.5829 tel:%2B39.049.827.5829
 roberto.battistu...@unipd.it mailto:roberto.battistu...@unipd.it
 www.chimica.unipd.it/roberto.battistutta/
http://www.chimica.unipd.it/roberto.battistutta/
 VIMM (Venetian Institute of Molecular Medicine)
 via Orus 2, 35129 Padova - ITALY
 tel. +39.049.7923.236 tel:%2B39.049.7923.236
 fax +39.049.7923.250 tel:%2B39.049.7923.250
 www.vimm.it http://www.vimm.it






[ccp4bb] Not to refine B factors, not to refine coordinates

2013-05-02 Thread Horacio Botti

Dear all, hi!!

I need help in order to use Refmac in two particular ways. On one hand I 
would like to ask the program not to refine B factor values (whichever 
the selected refinement mode was) and in the other I would like to ask 
it not to refine coordinates (whichever the selected refinement mode 
was). How can I do this? There must be more than one way...? Pros and 
cons...
Clarifications: It is not about setting initial B values neither to set 
Bavg to a certain value so that scaling goes well.


Thks in advance!

Horacio
attachment: hbotti.vcf

[ccp4bb] PhD (DPhil) place available: Marie Curie Action

2013-05-02 Thread Elspeth Garman
PhD (DPhil) place available: Marie Curie Action
DPhil in Biochemistry University of Oxford in association with Molecular 
Dimensions Ltd. New Approaches to Membrane Protein Structural Biology using 
Micro-focus X-ray beams  X-ray Free Electron Laser based Serial Femtosecond 
Crystallography.

Supervisors Simon Newstead and Elspeth Garman

For details see:
http://ec.europa.eu/euraxess/index.cfm/jobs/fgDetails/52824

--
European Crystallography Meeting, Warwick University 25-29th August 2013.
Registration for ECM28 is open at: http://ecm28.ecanews.org


  Professor Elspeth F. Garman,
  Director of Systems Biology Programme, Doctoral Training Centre.
Postal address:
  Laboratory of Molecular Biophysics,
  Department of Biochemistry,
  University of Oxford,  Tel: (44)-1865-613297
  South Parks Road,  FAX: (44)-1865-613201
  OXFORD, OX1 3QU, U.K. E-mail: 
elspeth.gar...@bioch.ox.ac.ukmailto:elspeth.gar...@bioch.ox.ac.uk 
www.bioch.ox.ac.uk/garmangrouphttp://www.bioch.ox.ac.uk/garmangroup
--
The University of Oxford's Doctoral Training Centre has three available 
programmes for October 2013 entry: Life Sciences Interface Doctoral Training 
Centre, Systems Biology Doctoral Training Centre and Systems Approaches to 
Biomedical Science Industrial Doctorate Centre.
To find out more, visit: http://www.dtc.ox.ac.uk/





Re: [ccp4bb] Why the name aimless

2013-05-02 Thread Jacob Keller
Nevertheless?

JPK


On Thu, May 2, 2013 at 2:18 PM, Roger Rowlett rrowl...@colgate.edu wrote:

  Some of my undergraduate students need the CCP4 program feckless.

 :)
 ___
 Roger S. Rowlett
 Gordon  Dorothy Kline Professor
 Department of Chemistry
 Colgate University
 13 Oak Drive
 Hamilton, NY 13346

 tel: (315)-228-7245
 ofc: (315)-228-7395
 fax: (315)-228-7935
 email: rrowl...@colgate.edu


 On 5/2/2013 12:22 PM, Eric Williams wrote:

 I've always thought gormless is a woefully underused word.

  Eric

 On Thu, May 2, 2013 at 11:53 AM, Mark van Raaij mjvanra...@cnb.csic.eswrote:

 i.e. the next program will be Graceless or Feckless?

 On 2 May 2013, at 12:10, Phil Evans wrote:

  Reference:
  Gibbons, S. (1932) Cold Comfort Farm, Longmans, London
 
  On 2 May 2013, at 11:07, Roberto Battistutta 
 roberto.battistu...@unipd.it wrote:
 
  Hi everyone,
  just a curiosity, why the name aimless for the recent data reduction
 and analysis program in CCP4? You know, my students are curious ...
  Thank you,
  Roberto.
 
 
  Roberto Battistutta
  Associate Professor
  Department of Chemistry
  University of Padua
  via Marzolo 1, 35131 Padova - ITALY
  tel. +39.049.827.5262
  fax. +39.049.827.5829
  roberto.battistu...@unipd.it
  www.chimica.unipd.it/roberto.battistutta/
  VIMM (Venetian Institute of Molecular Medicine)
  via Orus 2, 35129 Padova - ITALY
  tel. +39.049.7923.236
  fax +39.049.7923.250
  www.vimm.it






-- 
***

Jacob Pearson Keller, PhD

Looger Lab/HHMI Janelia Farms Research Campus

19700 Helix Dr, Ashburn, VA 20147

email: kell...@janelia.hhmi.org

***