[ccp4bb] more REFMAC problems

Dear all, just to add to the list of problems mentioned by several people: I have been using the LSQ (least-squares) option in REFMAC (using a command file, as this option is not available vie the GUI interface) just to tidy up my structure. This works fine (with all recent REFMAC

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

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

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

Hi folks Just to let you all know - there will be no Mosflm cover during this period either. However, Luke, Andrew and I will all be at the CCP4 Study Weekend in Nottingham; we will be ready, willing and able to deal with any enquiries you may wish to bring. On 23 Dec 2008, at 13:01,

Re: [ccp4bb] LSQKAB, version 6.0 vs version 6.1

Hi Dave, On Mon, Dec 22, 2008 at 02:58:31PM -0500, Borhani, David wrote: I think the LSQKAB change at Line 291(old)/Line 300(new) DOES introduce new and possibly incorrect logic. Very possible, but ... I haven't looked at all the code, but this one change does seem to substitute a check

Re: [ccp4bb] LSQKAB, version 6.0 vs version 6.1 - reposting (Sorry!)

Dear all, oops - due to some disk/network issues on my side, the final edits of my email got lost. Sorry for reposting this again (corrected): On Mon, Dec 22, 2008 at 02:58:31PM -0500, Borhani, David wrote: I think the LSQKAB change at Line 291(old)/Line 300(new) DOES introduce new and

Re: [ccp4bb] LSQKAB, version 6.0 vs version 6.1 - reposting (Sorry!)

Hi Clemens, Thanks for all your tests; the scripts/keywords you used to run LSQKAB with these test systems would help to clarify what may be going right vs. going wrong. A few points that I hope may be helpful: 1. Atom names are 4 characters. If a true match is desired, all 4 characters (even

Re: [ccp4bb] LSQKAB, version 6.0 vs version 6.1 - reposting (Sorry!)

Hi David, On Tue, Dec 23, 2008 at 10:31:28AM -0500, Borhani, David wrote: Hi Clemens, Thanks for all your tests; the scripts/keywords you used to run LSQKAB with these test systems would help to clarify what may be going right vs. going wrong. That was just a simple run with lsqkab

Re: [ccp4bb] Transferring a Free R set.

issue. Could I just confirm whether or not you think its necessary to transfer initial free R assignment to any new data sets or to isomorphous data sets such as substrate complexes. well, i would always do a slow-cool at the start so then it would not be necessary to transfer them ian

[ccp4bb] 6.1.0 burp: imosflm from ccp4i

Hi (for after Xmas/NY): When I try to run imosflm from ccp4i, the following burps to console. I'm almost completely sure that it's the default package-downloaded bltwish that runs. Cheers! phx Top level CCP4 directory is /usr/local/ccp4/6.1.0/ccp4-6.1.0 Using CCP4

[ccp4bb] information for study weekend attendees...

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

[ccp4bb] MR- Problem-76 % seqeunce identity-no solution

Dear all, I struck with MR problem. MY target has 76% sequence identity with the model. I tried Phaser, AMoRe and Molrep. None of them gave me satisfactory solution. If you have any suggestions and or New programs I would like to try. Thanks somu