[ccp4bb] 24/25 May 2012 IGBMC symposium on “Future Challenges in Integrative Structural Biology”

2012-02-29 Thread Bruno KLAHOLZ
Dear all, registration is now open for our IGBMC symposium on “Future Challenges in Integrative Structural Biology”. 24/25 May 2012, Strasbourg, France Seehttp://fcisb2012.u-strasbg.fr for registration and a detailed description of the meeting. Application deadline is April 9th

Re: [ccp4bb] molrep question - how get our ducks in a row?

2012-02-29 Thread Eleanor Dodson
PISA does just this - download pdb to ebi server; let iyt cluster molecules and read back the assembled fcoordinates - plus lots gf useful info.. Eleanor On Feb 24 2012, David Shin wrote: Hi Gloria, It depends on if you mean hard as in thinking up a slick trick, or hard as in maybe 20-30 min

Re: [ccp4bb] MTZ file

2012-02-29 Thread Eleanor Dodson
mtz(1) will contain h k l F SIGF I SIGI and optionally F+ SIGF+ and F- SIGF- This is your master file, providing the space group is correct It may NOT have the correct space group however - MR searches may select one space group from several possible ones. If the final SG is different from the

Re: [ccp4bb] MTZ file

2012-02-29 Thread Uma Ratu
Thank you very much! It is clear for me now. Cheers Ros On Wed, Feb 29, 2012 at 9:18 AM, Vellieux Frederic wrote: > Hi, > > The refinement program generates an mtz file with map coefficients > (including difference Fourier coefficients) so you should use that one for > model rebuilding in coo

Re: [ccp4bb] MTZ file

2012-02-29 Thread Vellieux Frederic
Hi, The refinement program generates an mtz file with map coefficients (including difference Fourier coefficients) so you should use that one for model rebuilding in coot; for the next refinement rounds, at the beginning of each round you should provide the initial mtz file coming from data pr

[ccp4bb] MTZ file

2012-02-29 Thread Uma Ratu
Hello, I have a question about .mtz files used in model building. Here is how I did: Diffraction data - HKL 2000: .sca CCp4i: scalepack2mtz: .mtz (1) Phaser: In: template pdb & .mtz(1) Out: model .pdb(1) & .mtz(2) Refmac5: model .pdb(2) & .mtz(3) Here is the question: 1. Coot check

Re: [ccp4bb] Fw: [ccp4bb] CCP4i Reflection DataUtilities: Convert to/modify/extend MTZ does not work

2012-02-29 Thread Martyn Winn
Yep, works for me too. 1w2i-sf.cif contains no pdbx entries. Did you perhaps first download the mmcif format coordinate file? On the RCSB site, the "mmCIF File" are coordinates, and "Structure Factor (text)" are reflections in mmCIF format. Cheers Martyn On Wed, 2012-02-29 at 02:33 -0800, Dial

[ccp4bb] Fw: [ccp4bb] CCP4i Reflection DataUtilities: Convert to/modify/extend MTZ does not work

2012-02-29 Thread Dialing Pretty
I just have it successfully done:  Import reflection file in mmCIF format and create MTZ file In 1w2i-sf.cif - Forwarded Message - From: Jayashankar To: Dialing Pretty Cc: CCP4BB@jiscmail.ac.uk Sent: Wednesday, 29 February 2012 7:05 PM Subject: Re: [ccp4bb] CCP4i Reflection DataUtili

Re: [ccp4bb] CCP4i Reflection DataUtilities: Convert to/modify/extend MTZ does not work

2012-02-29 Thread Martyn Winn
If you send me the PDB id that you are trying to convert, I can investigate. This issue has come up a few times recently on the BB - you can also try searching the archives for advice. The version of cif2mtz + dictionary in the forthcoming 6.3 should cope with a wider range of cif files. Cheers

Re: [ccp4bb] Sad News

2012-02-29 Thread Charles Ballard
Dear All the message originated from a yahoo account that had been registered since 2007. We have delisted the account. Charles Ballard CCP4 On 28 Feb 2012, at 17:46, William G. Scott wrote: > I thought it was some sort of allegory for tenure-track faculty positions. > > > -- Bill > > >

Re: [ccp4bb] CCP4i Reflection DataUtilities: Convert to/modify/extend MTZ does not work

2012-02-29 Thread Jayashankar
I face exactly the same problem. any advice in this regard would be greatful. S.Jayashankar Research Student Institute for Biophysical Chemistry Hannover Medical School Germany. On Wed, Feb 29, 2012 at 2:58 AM, Dialing Pretty wrote: > > Dear All, > > I want to use "CCP4i Reflection DataUtiliti