[ccp4bb] Beamtime at SLS X06SA

2007-06-13 Thread Clemens Schulze-Briese
= SYNCHROTRON BEAM TIME FOR MACROMOLECULAR CRYSTALLOGRAPHY AT THE UNDULATOR BEAMLINE X06SA AT SLS FROM SEPTEMBER- DEC 2007 = - PILATUS 6M pixel detector available for

[ccp4bb] CCP4 webnewsletter summer 2007

2007-06-13 Thread Remacle, F (Francois)
Dear users and developers, The next issue of CCP4 webnewsletter is to be published this summer. Any contribution is more than welcomed, deadline is currently the first week of August (1-3 August). As a reminder the topics of the webnewsletter covers the following: Articles may cover any

[ccp4bb] EM maps in phaser

2007-06-13 Thread Cynthia Czyrphony
I'm trying to use an EM map as model in phaser. I've got the map from the colaborator in ccp4 format, how should I convert it to .mtz file? Thanks. Cynthia

[ccp4bb] Screening, ADMET workshop, wiki activity on method evaluation, validation, international cooperation

2007-06-13 Thread barry . hardy
Alongside the eCheminfo Community of Practice meeting at Bryn Mawr College,Philadelphia this year (see link at bottom) we are holding the followingtwo workshops discussing latest methods, applications, best practices forcomparative studies and validation, and areas of opportunity for

[ccp4bb] Eden SUSE linux libfftw.so.2

2007-06-13 Thread Juergen J. Mueller
Dear all, trying to install electron density calculation program eden-5.3-1.2.el4.mok.i386.rpm under SUSE linux 9.3-10.1 the libfftw.so.2 is missing. Does anybody know which provider is so equivalent to SUSE that the programs can be mixed (fftw2 from REDHAT, MANDRAKE, ...)? Many thanks, Jürgen

Re: [ccp4bb] Eden SUSE linux libfftw.so.2

2007-06-13 Thread Soisson, Stephen Michael
SuSE is a Mandrake derivative, so that is your best bet. It is likely that the Rehat RPM will work too. Make sure that the library goes to the right place after you install it (especially if you go Redhat) - you may have to put a symbolic link where the program in question is looking for

Re: [ccp4bb] b-factors from refmac tls refinement vs cns mlf refinement

2007-06-13 Thread Eleanor Dodson
These are B factors RELATIVE to your TLS parameters. You need to run tlsanl to get back to something comparable to the individual B factors.. Eleanor CRAIG MCELROY wrote: Hi all, I'm working on the structure of a heterodimer phased by molecular replacement using data to 2.9 angstroms. After

Re: [ccp4bb] Eden SUSE linux libfftw.so.2

2007-06-13 Thread mark michaels
Since I used Suse long before I ever heard of Mandrake/driva I found this interesting andf a double check showed it not to be the case. http://upload.wikimedia.org/wikipedia/commons/e/ed/LinuxDistroTimeline.png m From: Soisson, Stephen Michael [EMAIL PROTECTED] Reply-To: Soisson, Stephen

Re: [ccp4bb] DANO from PDB

2007-06-13 Thread Bart Hazes
Eleanor Dodson wrote: Well - the old way to estimate sigma was Sqrt(I**2 + constant_representing background) and then get Sigma_F as ~ sqrt(SigI)/(2*F ) . sftools would calculate that for you and append it to the output file.. Eleanor I suggested something similar to Pete but sufficiently

[ccp4bb] Research Position in Structural Biology at Pfizer, Groton CT, USA

2007-06-13 Thread Pandit, Jayvardhan
We seek to fill two protein purification and crystallization positions in the structural biology group at the Groton, Connecticut campus of Pfizer Global Research and Development. Job Description: The selected candidate will have passion and experience in the purification and crystallization

[ccp4bb] Buildling CCP4+Phaser in FC6

2007-06-13 Thread Roger Rowlett
CCP4-ers, I am building CCP4 in FC6 on some new workstations. When I compile from source, using either the automated install.sh or manually using configure-make-make install, Phaser does not get installed (configure doesn't detect it) even though the Phaser and CCBTX packages are present or

Re: [ccp4bb] Eden SUSE linux libfftw.so.2

2007-06-13 Thread Daniel Schlieper
Hi Juergen, it might be worthwhile to search for this library in SuSE's software installation program. It should be in the development section. The RPM file from another provider will probably work, too. If all else fails, you can install it from the sources (www.fftw.org). Best regards,

Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4 format

2007-06-13 Thread Eleanor Dodson
I suspect you can use the Reflection utilities Convert to mtz and ask for mmCIF input - this is meant to be mmCIF compliant.. I think? Eleanor U Sam wrote: Hi I would like to create ccp4 format 2fo-fc and fo-fc map from .fcf file created in shelex. I can load .fcf file in coot to see the

[ccp4bb] B-factor sharpening in CCP4 or Coot

2007-06-13 Thread Jeff Lee
Hi, I have a question for everyone. I wanted to up-weight my high resolution terms in my electron density map by applying a B-factor sharpening term. I have mtz files produced from DM and I usually use Coot to generate my electron density maps. I was wondering is there an easy way to

Re: [ccp4bb] B-factor sharpening in CCP4 or Coot

2007-06-13 Thread Soisson, Stephen Michael
Eleanor was kind enough to modify truncate years ago for me to do this - I would guess the feature is still there. Thanks again Eleanor! Steve -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Jeff Lee Sent: Wednesday, June 13, 2007 1:19 PM To:

Re: [ccp4bb] B-factor sharpening in CCP4 or Coot

2007-06-13 Thread Soisson, Stephen Michael
Senility is, in fact, setting in. It was a modified version of CAD! Sorry for the confusion. To further compound the confusion, I am not sure if my solution is what you are really looking for, although I suspect you should try it. What we did was use an overall negative B-factor to achieve a

[ccp4bb] REFMAC converts alpha-L-fucose into beta-L-fucose

2007-06-13 Thread verdino
Dear CCP4bb thanks so much for the helpful information regarding carbohydrate refinement. Kim's recommendation (see below) for the validation server worked really well and helped me to finally figure out what is going on. Seems as if REFMAC5 (part of ccp4-6.0.2 version) is not handling

Re: [ccp4bb] ISSUE RESOLVED - REFMAC converts alpha-L-fucose into beta-L-fucose]

2007-06-13 Thread verdino
Sorry guys, my previous message obviously reflected that I am not very familiar with sugars. Kelvin's email clarified what was going on: the REFMAC dictionary for a-L-fucose is perfectly correct, my mistake was that I was not aware of the reverse relation of alpha and beta-linkages in L and

[ccp4bb] Program for colouring DNA

2007-06-13 Thread Aaron Oakley
Colleagues, I am interested in making a figure of a recently solved protein-DNA complex, such that the DNA is colour-coded according to its degree of distortion away from classic B-DNA. Is anyone aware of a program that can do this? With thanks, Aaron Oakley