Re: [ccp4bb] Fwd: Re: [ccp4bb] reference for true multiplicity?

2013-05-15 Thread Harry Powell
dear, this will unleash references from the 60s, won't it.) phx -- Ethan A Merritt Biomolecular Structure Center, K-428 Health Sciences Bldg University of Washington, Seattle 98195-7742 Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis

Re: [ccp4bb] iMosflm bug?

2013-06-25 Thread Harry Powell
change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] iMosflm bug? - SOLVED

2013-06-26 Thread Harry Powell
. I've attached link to a picture of what it looks like. https://www.dropbox.com/s/muwblcgohhxu94c/iMosflm-cut-off.png Thanks, Thomas Cleveland Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus

Re: [ccp4bb] Where to cut the data in this medium resolution dataset

2013-07-23 Thread Harry Powell
in reciprocal space. HTH, Kay The diffraction pattern looks great, the 3.4A reflections are visible by eye and the edge of the detector is about 2.8A. The crystals were 10x20x50 um in size and spacegroup is P6522. Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory

Re: [ccp4bb] Error running Pointless in CCP4-6.3 OSX (10.8)

2013-08-12 Thread Harry Powell
://www.lorneproteins.org February 9-13, 2014. Mantra Lorne, Lorne, AUSTRALIA Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9

Re: [ccp4bb] Data processing - twinned xtals

2013-08-16 Thread Harry Powell
really appreciate if someone could share their experiences on solving twinning issues during crystal growth Thanks in advance ! Maheshimage 1.pngimage 2.png Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical

Re: [ccp4bb] Error with iMosflm 1.0.7 of CCP4 6.4.0 kit

2013-10-23 Thread Harry Powell
. Schuller modern man in a post-modern world MacCHESS, Cornell University schul...@cornell.edu imosf.err.jpg Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology

Re: [ccp4bb] strange unit cell

2013-10-25 Thread Harry Powell
University Seoul 151-921, KOREA Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] A photograph of the Arndt-Wonacott rotation camera?

2013-10-30 Thread Harry Powell
* * * === Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] bluetooth monitor

2013-10-30 Thread Harry Powell
as incoming e-mails are not screened for response deadlines. -- Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9

Re: [ccp4bb] How to show the ligands (both as sticks and sphere) as shown here in Pymol

2014-01-20 Thread Harry Powell
at the same time. Does anyone happen to know how to display the ligand like this? Thank you so much! Best, Wei Ligand.ppt Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman

Re: [ccp4bb] making high res image in pymol

2014-01-28 Thread Harry Powell
=300 or dpi=600 command doesn't make any difference; the image is still kind of low resolution for A0 or A1. Any idea how I can generate this in pymol? (I am using the free version of pymol) Thank you in advance, Alex Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory

[ccp4bb] new release of Mosflm iMosflm version 7.1.0

2014-02-17 Thread Harry Powell
/ AIMLESS/TRUNCATE, so this no longer depends on a Web browser. 14. Multiple small bug fixes. Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European Crystallographic

Re: [ccp4bb] High Rwork/Rfree vs. Resolution

2014-02-23 Thread Harry Powell
Hi Kay means, of course, the ACA meeting in Albuquerque, not the IUCr in Montreal! Authors of the major processing packages will be competing for your attention... Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge

Re: [ccp4bb] Fwd: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5

2014-03-03 Thread Harry Powell
, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European

Re: [ccp4bb] Fwd: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5

2014-03-03 Thread Harry Powell
of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

[ccp4bb] iMosflm update available - version 7.1.1

2014-03-25 Thread Harry Powell
and this is compatible with iMosflm 7.1.1. This version will be included in the next CCP4 update, due any day now. Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European

Re: [ccp4bb] jiffy for analyzing spot.xds?

2014-04-15 Thread Harry Powell
** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] ipmosflm not connecting to XQuartz on Mac.

2014-04-16 Thread Harry Powell
enough demand we will do our best to oblige (particularly if it’s a straightforward addition to the code…). -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European

Re: [ccp4bb] PyMol and Schrodinger

2014-04-23 Thread Harry Powell
to hear if you have had the same experience and what you think about the Schrodinger policy. Best wishes, Mirek Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European

[ccp4bb] HKL2MAP .sca files...

2014-04-28 Thread Harry Powell
if the cell dimensions were included in the unmerged file? Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] error in starting imosflm

2014-04-28 Thread Harry Powell
Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] error in starting imosflm

2014-04-28 Thread Harry Powell
Leslie and Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 0QH, UK E-mails: and...@mrc-lmb.cam.ac.uk, ha...@mrc-lmb.cam.ac.uk References: Mosflm: A.G.W. Leslie and H.R. Powell (2007), Evolving Methods for Macromolecular Crystallography, 245, 41-51

Re: [ccp4bb] Pilatus and Strategy wrt Radiation Damage

2014-04-30 Thread Harry Powell
*** Jacob Pearson Keller, PhD Looger Lab/HHMI Janelia Farms Research Campus 19700 Helix Dr, Ashburn, VA 20147 email: kell...@janelia.hhmi.org *** Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology

Re: [ccp4bb] report mosaicity

2014-05-16 Thread Harry Powell
Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] data processing with XDS

2014-05-19 Thread Harry Powell
ideas are welcome. Best wishes, Almudena. -- Almudena Ponce-Salvatierra Macromolecular crystallography and Nucleic acid chemistry Max Planck Institute for Biophysical Chemistry Am Fassberg 11 37077 Göttingen Germany Harry -- ** note change of address ** Dr Harry Powell, MRC

Re: [ccp4bb] baverage: no tables were found in this file

2014-06-03 Thread Harry Powell
-- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -- Scanned by iCritical. Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge

Re: [ccp4bb] baverage: no tables were found in this file

2014-06-03 Thread Harry Powell
the temperature factor? Thanks! Bing -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -- Scanned by iCritical. Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick

Re: [ccp4bb] Proper detwinning?

2014-07-12 Thread Harry Powell
at the results of indexing, and the processing that led up to the MASKIT error? Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9

Re: [ccp4bb] Who is using 64-bit Linux?

2012-04-03 Thread Harry Powell
Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@colgate.edu Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Who is using 64-bit Linux?

2012-04-05 Thread Harry Powell
enviroment. David -- David Aragao, PhD | Research Fellow - MX | Australian Synchrotron p: (03) 8540 4121 | f: (03) 8540 4200 | m: 0467 775 203 david.ara...@synchrotron.org.au | www.synchrotron.org.au 800 Blackburn Road, Clayton, Victoria 3168, Australia Harry -- Dr Harry Powell, MRC Laboratory

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Harry Powell
...@gmail.com http://www.ruppweb.org/ - No animals were hurt or killed during the production of this email. - Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC

Re: [ccp4bb] .CBF raw images in iMOSFLM- error

2012-04-12 Thread Harry Powell
-- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[ccp4bb] iMosflm version 1.0.6 Mosflm version 7.0.8

2012-04-16 Thread Harry Powell
the main Session menu item 'Read spots file...' and from the 'Read spots file...' button (with an open file icon) next to the 'Index' button in the Autoindexing pane. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[ccp4bb] Fwd: Crystallographic Software Fayre (ECM27, Bergen)

2012-05-11 Thread Harry Powell
Fax [+31] 030-2533940 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] how to ignore spot overlap in imosflm?

2012-05-14 Thread Harry Powell
Sciences China Agricultural University No.2, Yuan Ming Yuan West Road Haidian District, Beijing, China 100193 Tel: +86-10-62732672 E-mail: xinghua...@126.com Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[ccp4bb] Fwd: Crystallographic Software Fayre (ECM27, Bergen)

2012-05-22 Thread Harry Powell
is http://ecm27.ecanews.org/ On 11 May 2012, at 10:36, Harry Powell wrote: Hi folks Any of you who are considering attending ECM27 in Bergen may be interested in some of the sessions that have been arranged at this Software Fayre. The full list of Microsymposia at ECM27 should

Re: [ccp4bb] Fwd: Crystallographic Software Fayre (ECM27, Bergen)

2012-06-05 Thread Harry Powell
to learn that Bergen was apparently founded by the son of Harald Hardrada, the Norwegian king who was killed at the battle of Stamford Bridge in 1066, just over a fortnight before a seminal moment in English history. On 22 May 2012, at 15:08, Harry Powell wrote: Hi folks The list

Re: [ccp4bb] error popup with imosflm 1.0.6 despite valid executable MOSFLM_EXEC for mosflm 7.0.8

2012-06-15 Thread Harry Powell
attaching a screenshot. Thanks for your help Hari imosflm-1.0.6-wrror-popup.png Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] High Rfree values and using Bruker detector w/ iMosflm

2012-06-25 Thread Harry Powell
is correct size. Does anyone have any advice on how to correct this since I understand that iMosflm is supposed to be able to read Bruker .sfrm images? Thanks! Annette Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[ccp4bb] Release of iMosflm 1.0.7 and Mosflm 7.0.9

2012-07-05 Thread Harry Powell
in the path to baubles when running Pointless. • Do not require the scaling programs to be in CBIN as CCP4_BIN is in the PATH. • Save the Strategy file as soon as the yellow, cross-hatched sector is plotted after the Auto-complete calculation. Harry -- Dr Harry Powell, MRC

[ccp4bb] Master in Crystallography and Crystallisation?

2012-07-31 Thread Harry Powell
it? If you are a member and either have or have not received it, could you let me know asap? PLEASE don't reply to the BB, reply to me directly! BTW, the URL for the course is http://lafactoria.lec.csic.es/mcc/ Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre

Re: [ccp4bb] Process multiple data sets

2012-08-01 Thread Harry Powell
not go through. I then process data sets by loading one at each time. Index, intergrate and scale all go through very smoothly. But when I put them together, the program just goes crazy. Thank you for advice Uma Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre

Re: [ccp4bb] Process multiple data sets

2012-08-01 Thread Harry Powell
have indexed them consistently Phil On 1 Aug 2012, at 14:36, Harry Powell wrote: Hi I'd process (i.e. index, refine, integrate) each data set individually, check that (at least) they all have the same crystal system, then combine the datasets using Pointless. Then scale with Aimless

Re: [ccp4bb] d*trek

2012-08-24 Thread Harry Powell
: Do anybody know if d*trek can process data collected from APS? Thanks a lot in advance. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] imosflm, bad predictions - solved!

2012-10-19 Thread Harry Powell
, the beam center that I used in HKL2000 was different than the beam center position for imosflm. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] relations between groups and subgroups?

2012-11-13 Thread Harry Powell
you for your help. vincent Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] Yesterday (was) Today yesterday...

2012-12-21 Thread Harry Powell
Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

[ccp4bb] Coot's hidden talents!

2013-01-11 Thread Harry Powell
Hi Just noticed this - http://www.bbc.co.uk/news/uk-20978904 do we know the artist? He has just moved to Cambridge... Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9

Re: [ccp4bb] need some suggestions for crystallization

2013-02-04 Thread Harry Powell
this group is. Thank you very much. Dave Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] need some suggestions for crystallization

2013-02-04 Thread Harry Powell
:10 PM, Harry Powell harry@mrc- lmb.cam.ac.uk wrote: Hi David try going back to the one that started it all,* myoglobin, a recipe is at http://www.rigaku.com/products/protein/recipes (* feel free to argue about this) On 4 Feb 2013, at Mon4 Feb 16:03, David Roberts wrote: So, I know I

Re: [ccp4bb] Pilatus 300K CBF to Oxford Diffraction format convert

2013-02-06 Thread Harry Powell
- http://enigmail.mozdev.org/ iD8DBQFREjxFUxlJ7aRr7hoRAnT6AJoCPwjWp5eDrIQ0JevYl/98Bh2ixQCglIQ+ 7e+OerAR3x+GVUejoXmVcQM= =ZDOJ -END PGP SIGNATURE- Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Chairman of European Crystallographic

Re: [ccp4bb] Measure Cell option in imosflm

2013-02-25 Thread Harry Powell
Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] compiling Fortran 77 code on a Linux box (using gfortran ?)

2013-03-06 Thread Harry Powell
., Ph.D., hdr) ouvrier de la recherche IBS / ELMA 41 rue Jules Horowitz F-38027 Grenoble Cedex 01 Tel: +33 438789605 Fax: +33 438785494 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9

Re: [ccp4bb] first use of synchrotron radiation in PX

2013-03-13 Thread Harry Powell
protein structure solved on a synchrotron? Thanks in advance Alan -- Alan Cheung Gene Center Ludwig-Maximilians-University Feodor-Lynen-Str. 25 81377 Munich Germany Phone: +49-89-2180-76845 Fax: +49-89-2180-76999 E-mail: che...@lmb.uni-muenchen.de Harry -- Dr Harry Powell, MRC

Re: [ccp4bb] How to calculate data collection strategy manually?

2013-03-26 Thread Harry Powell
, saleem raza wrote: How to calculate data collection strategy manually. I was wondering if any one can answer this, if we have to calculate data collection strategy manually? regards Saleem Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick

Re: [ccp4bb] process data from two crystals in-house data

2013-03-28 Thread Harry Powell
Thiyaga S. Thiyagarajan Centre of Excellence in Bioinformatics School of Biotechnology Madurai Kamaraj University Madurai - 625021 Ph: +91-9159224881 (cell) Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical

Re: [ccp4bb] 2Theta data set solving problem

2013-04-09 Thread Harry Powell
resolution data points. Also we are not able to merge data two sets, one with 2theta at 0deg and the other with 2theta at 20deg. Is there anyway to solve the data. Any help will be truly appreciated. Thank you in advance. Navin V Narayanan Harry -- ** note change of address ** Dr Harry Powell

Re: [ccp4bb] CCP4 Update victim of own success

2013-04-12 Thread Harry Powell
*** Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] CCP4 GUI

2007-05-11 Thread Harry Powell
is assumed to know better. If an interface (e.g. ccp4i) sets the value to a default, the program really has no way of knowing that it was the interface and not a user who knows their data which has input the value. Just my two ha'porth... Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology

Re: [ccp4bb] anomalous signal

2007-06-01 Thread Harry Powell
Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] number of MTZ files input to scaleit

2007-06-26 Thread Harry Powell
okay with 20) but CAD will only let me put 9 datasets in an MTZ file. Do I have to run CAD twice (or more...) to get all my datasets together? Or is there some other way that I've missed? Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Release of Mosflm version 7.0.1 iMosflm 0.5.3

2007-08-20 Thread Harry Powell
-lmb.cam.ac.uk/harry/imosflm/downloads/imosflm.tcl NOTE that this is _not_ the file of the same name in the src folder. I've fixed this in the imosflm.zip file so any further downloads will not display this bug. Sorry about this! Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology

Re: [ccp4bb] mosflm and APS BM17

2007-08-22 Thread Harry Powell
!PIXEL 0.07934 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] diffraction images images/jpeg2000

2007-08-24 Thread Harry Powell
and would therefore affect the background statistics in a non-trivial way. Although the intensity measurements may not be badly affected the error estimates on them could be... Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] diffraction images images/jpeg2000

2007-08-24 Thread Harry Powell
, 2007 at 01:20:29PM +0100, Harry Powell wrote: Hi Lossy compression should be okay, provided that the errors introduced are smaller than those expected for counting statistics (assuming that the pixels are more-or-less independent) - i.e. less than the square-root of the individual pixel intensities

[ccp4bb] Mosflm v 7.0.1 Mac Intel pre-built executable.

2007-08-24 Thread Harry Powell
attempt to run it by being told that /sw/lib//gcc4/lib/libgfortran.1.dylib doesn't exist, it is probably worthwhile downloading this new executable. have a nice weekend! Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] ipmosflm

2007-09-02 Thread Harry Powell
when I try to run it: $./mosflm_linux_suse_SD mosflm_linux_suse_SD: error while loading shared libraries: libg2c.so.0: cannot open shared object file: No such file or directory It might not related to the program. However, please advise. Thx. Eric Harry -- Dr Harry Powell, MRC Laboratory

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

2007-11-09 Thread Harry Powell
Of course, you may need to re-index even if you have the right space group... Offering a selection of space groups compatible with a point group will not require reindexing. Some point groups of course permit reindexing, but one hope you have chosen a consistent set as you combine data sets

[ccp4bb]

2007-11-13 Thread harry powell
. Kenwood Blvd. Milwaukee, WI 53211 phone: +1-414-229-4338 email: [EMAIL PROTECTED] http://users.physik.tu-muenchen.de/marius/ Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] To bathe or not to bathe.

2007-11-24 Thread harry powell
Brookhaven Nat'l Lab. Phones: Upton, NY 11973631 344 3401 (Office) U.S.A. 631 344 2741 (Facsimile) = Harry -- Dr Harry Powell, MRC Laboratory

[ccp4bb] ccp4i integration task

2007-11-27 Thread Harry Powell
received! Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] ccp4i integration task

2007-11-27 Thread Harry Powell
Many thanks to everyone who took the time to reply! It will all be very helpful. On 27 Nov 2007, at 11:59, Harry Powell wrote: Hi folks Can you reply directly to me rather than ccp4bb? I was wondering how many people out there actually use the integration task in ccp4i? We're trying

Re: [ccp4bb] scale data with multiple MTZ files

2008-01-11 Thread harry powell
, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: [EMAIL PROTECTED] Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road

Re: [ccp4bb] x ray data sets for teaching

2008-01-11 Thread harry powell
Beloit, WI 53511 FAX: 608-363-2052 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Calculating volume of Ligands

2008-01-16 Thread harry powell
, Rajan Pillai wrote: Hi All, Can anyone tell me any program that calculates voume of a ligand? Moreover, is there also any program that can calculate the volume of a ligand from its coordinates? Thanks, Rajan. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre

[ccp4bb] New versions of Mosflm and iMosflm

2008-01-28 Thread Harry Powell
backwards Harry Luke -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] 3D Glasses - Vuzix HMD by eDimensional

2008-02-04 Thread Harry Powell
) to make sure you have enough light reflected from the horizontal monitor to be about the same as the light transmitted from the vertical one. On 4 Feb 2008, at 12:09, Harry Powell wrote: Hi Just looking at the diagrams, I don't think the glass is half-silvered - it looks like a large

Re: [ccp4bb] 3D Glasses - Vuzix HMD by eDimensional

2008-02-04 Thread Harry Powell
Nutrition Unit, Wellcome Trust/MRC Building, Hills Road, Cambridge, CB2 2XY, UK phone: +44 (0)1223 252830 fax: +44 (0)1223 252835 web: www.mrc-dunn.cam.ac.uk email: [EMAIL PROTECTED] Helping your favorite cause is as easy as instant messaging. You IM, we give. Learn more. Harry -- Dr Harry

[ccp4bb] new versions of Mosflm (7.0.3) and iMosflm (0.6.1)

2008-03-03 Thread Harry Powell
-- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] Missing fonts...

2008-03-05 Thread Harry Powell
is not including all the Courier fonts; since I don't have an FC8 machine handy, could anyone here offer advice about the best way to install these?  Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] problems about installation of mosflm701

2008-03-27 Thread harry powell
CBFCFLAGS -O -DPROTOTYPE -DIFC # DPS export VERBOSE v export UTILFLAGS -O -DPROTOTYPE -DIFC -c -w export EXTRAFLAGS -I${UTIL} export STDCFLAGS exit Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] is it Ok to freeze

2008-06-19 Thread harry powell
researcher). Research Student Institute for Biophysical Chemistry Hannover Medical School Germany Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] is it Ok to freeze

2008-06-19 Thread harry powell
? Colin -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of harry powell Sent: 19 June 2008 10:12 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] is it Ok to freeze Hi If you mean organic small molecules, then the opinion for the last 15 years at least

Re: [ccp4bb] is it Ok to freeze

2008-06-19 Thread harry powell
2008, at 11:05, harry powell wrote: Hi Colin yes, both of those. Plus freezing out multiple conformations so you can model them properly - bear in mind that a small molecule structure at a resolution worse than 1Å would be challenging to get past the normal criteria of referees, so you should

Re: [ccp4bb] is it Ok to freeze

2008-06-19 Thread harry powell
Student Institute for Biophysical Chemistry Hannover Medical School Germany Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] program for distribution of distances

2008-06-24 Thread harry powell
, PhD Biomoleculaire Architectuur Celestijnenlaan 200 F B-3001 Heverlee (Leuven) Tel: +32(0)16327477 -- Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road

Re: [ccp4bb] Question re: ice rings in diffraction data

2008-07-15 Thread harry powell
Toxicology Botterell Hall, Rooms 623 and 634 (lab) Queen's University, Kingston, ON, K7L 3N6 Phone: 613-533-2993, 613-533-6293 (lab) E-mail: [EMAIL PROTECTED] Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Crystallographic computing platform recommendations?

2008-11-18 Thread harry powell
? Thanks in anticipation of your advice. Regards, Anna Gardberg Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] iMosflm in 6.1 under OS X

2008-12-17 Thread Harry Powell
source $env(IMOSFLM) (file /sw/share/xtal/ccp4-6.1.0/ccp4i/imosflm/imosflm.tcl line 111) Regards, Andrzej Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[ccp4bb] Mosflm cover was: CCP4 cover over the Yuletide and Study Weekend periods

2008-12-23 Thread Harry Powell
, Ballard, CC (Charles) wrote: Dear All I am afraid that there will be no cover from the CCP4 droids at Daresbury from 24 December until 2 January, with limited cover until 6 January. Here's wishing you all a Happy New Year Charles CCP4 core team Harry -- Dr Harry Powell, MRC Laboratory

[ccp4bb] information for study weekend attendees...

2008-12-23 Thread harry powell
Hi folks I found some tourist advice for visitors to Nottingham in the New Year... http://news.bbc.co.uk/1/hi/england/nottinghamshire/7798194.stm Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Mac pro

2009-01-06 Thread Harry Powell
how robust this is. -Nat Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-07 Thread Harry Powell
where I can download them or what other solutions to get imosflm to run properly? Thanks a lot Paula Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-07 Thread Harry Powell
is this ccp4-others.setup? I don't have it in my working 6.1.0 installation (built from source) Phil On 7 Jan 2009, at 11:50, Harry Powell wrote: Hi folks We have had a good look at this at Mosflm HQ now on Linux. The CCP4 TclTk++ distribution seems to work okay, and there's no need

Re: [ccp4bb] Issue on MOSFLM 7.0.4 with image collected on NOIR detector

2009-02-12 Thread harry powell
Department of Chemistry and Biochemistry UCB 215 Boulder, CO 80309 USA tel: + 1 (303) 735-6338 fax: + 1 (303) 492-6194 e-mail: quentin.vic...@colorado.edu screen.tiff Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] images

2009-03-16 Thread Harry Powell
* * * === Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] images

2009-03-18 Thread harry powell
associated with each set of images I suspect it would be hard to reproduce sensible results. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] imosflm STARTDIR

2009-03-19 Thread Harry Powell
, United Kingdom /FONT/DIV -- Scanned by iCritical. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] mosflm in script mode

2010-05-28 Thread Harry Powell
: JAbendroth_at_embios.com http://www.emeraldbiostructures.com Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

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