Re: [ccp4bb] SAXS EM comparison

2010-07-26 Thread Andreas Förster
Thanks to all (Christoph Best, Kushol Gupta, Alexander Shkumatov, David J. Scott, Ruben Martinez, and Stephen Prince) who replied to my request concerning the calculation of theoretical SAXS scattering data from EM reconstructions. I'm in the processing of testing the suggested solutions and w

Re: [ccp4bb] ctruncate and refmac fail

2010-07-26 Thread Brock Schuman
I just installed CCP4 on a new XP box last week and I get the same error, as well as a windows error "ctruncate.exe has encountered a problem and needs to close. We are sorry for the inconvenience" Stupid windows. On Mon, Jul 26, 2010 at 9:40 AM, Scott Pegan wrote: > Has anyone figured the fix

Re: [ccp4bb] ctruncate and refmac fail

2010-07-26 Thread Scott Pegan
Has anyone figured the fix for this yet? I tried to install the latest ccp4 on a windows XP box and get the same error. Scott On Fri, Jul 23, 2010 at 6:51 AM, wrote: > Dear alls > > I am sorry but I have a problem with the installation of last version of > CCP4i on systems Window 97 and Windo

Re: [ccp4bb] problem in annealing

2010-07-26 Thread Pascal Egea
Hi Hussain, I think you need to edit your input file and increase the max number of chain and the max number of tree . I had this problem several times especially if the structure is big or the chain(s) is(are) fragmented. The default values in CNS usually work but you can increase them and it sho

[ccp4bb] Biotherapeutics Postdoc opportunity available (Pfizer)

2010-07-26 Thread Eugene Krissinel
On behalf of Dr. Sandeep Kumar (Pfizer): Pfizer Inc: Working together for a healthier world Founded in 1849, Pfizer is the world's premier biopharmaceutical company taking new approaches to better health. We discover, develop, manufacture and deliver quality, safe and effective prescription medici

[ccp4bb] Invitation to Duesseldorf

2010-07-26 Thread Mariana Grieben
Dear colleagues, We would like to invite you to participate at the 'BioStruct's MasterClass', a conference organized by the NRW Research School BioStruct at the University of Duesseldorf taking place from 6 to 9 September, 2010. The conference will cover "Approaches to Determine Protein Structu

Re: [ccp4bb] problem in annealing

2010-07-26 Thread Vellieux Frederic
Hi, I think the MAXCHN "errors" has been "fixed" in recent versions of CNS. You must be using CNS v1.0 or v1.1. So either you download and install a recent version (the latest is v1.3), or you do as the error message suggests: you edit your anneal.inp file, you locate "MAXCHN=" or "MAXCHN ="

[ccp4bb] problem in annealing

2010-07-26 Thread Hussain Bhukyagps
Hi, I'm facing problem in refinement. i have a pdb and it is showing the following error in the step of annealing. -- Torsion Topology -- - ERROR: A tree has too many chains. Please increase MAXCHN and re-run. %TORSION:TO

Re: [ccp4bb] FT of fo-fc.coeff

2010-07-26 Thread Eleanor Dodson
i dont think you are tackling this problem in the simplest way. as boaz suggests, you can use phaser to find several molecules, either several copies of the same model, or first one type of model, then a second. The CCP4 GUI interface guides you into how to do this, you input ensemble1 ( first