Re: [ccp4bb] AW: [ccp4bb] regarding Fo-Fc map in coot

2014-03-11 Thread Amlan Roychowdhury
Dear All, Thank you very much for your reply. I have an another doubt and I want to discuss with you. Sometimes for some structure during refinement and model building we have found a green blob (Fo-Fc and 5 sigma). If I scroll down the blue 2Fo-Fc map to a very low sigma level nearly at 0.5 a

[ccp4bb] positions for PhD students

2014-03-11 Thread Joseph Ho
Dear all: I would like to ask your kind help to distribute TIGP application announcement for 2014 on your network. The Chemical Biology and Molecular Biophysics program of Taiwan International Graduate Program is a Ph.D. program, founded by Academia Sinica, the foremost research institution of

Re: [ccp4bb] AW: [ccp4bb] regarding Fo-Fc map in coot

2014-03-11 Thread Eleanor Dodson
You dont say what resolution you are working at, or what the current R factor is. or how complete the model is. There are assumptions made in the refinement scaling algorithms and in their treatment of supposedly poorly ordered solvent which can generate false density (both positive and

Re: [ccp4bb] AW: [ccp4bb] regarding Fo-Fc map in coot

2014-03-11 Thread Monica Mittal
Dear Sir May i know how to refine the group occupancy for a ligand??? Thanx in advance On Mon, Mar 10, 2014 at 2:11 PM, herman.schreu...@sanofi.com wrote: Dear Amlan, The sigma of an Fo-Fc map map depends on the residual noise in your map. In a well-refined structure, the sigma will be

Re: [ccp4bb] AW: [ccp4bb] regarding Fo-Fc map in coot

2014-03-11 Thread Tim Gruene
Dear Monica, for refmac5 this is nicely explained at http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/refmac/refmac_keywords.html#Occupancy Best, Tim On 03/11/2014 12:14 PM, Monica Mittal wrote: Dear Sir May i know how to refine the group occupancy for a ligand??? Thanx in advance

Re: [ccp4bb] twinning problem ?

2014-03-11 Thread Eleanor Dodson
Sorry - hadnt finished.. The twinning tests are distorted by NC translation - usually the L test is safe, but the others are all suspect.. On 11 March 2014 14:09, Eleanor Dodson eleanor.dod...@york.ac.uk wrote: What is the NC translation? If there is a factor of 0.5 that makes SG

[ccp4bb] Lecture in X-ray crystallography, University of Leeds

2014-03-11 Thread Thomas Edwards
Please see the link below for an advert for a new Lectureship in Macromolecular X-Ray Crystallography at the University of Leeds. http://jobs.leeds.ac.uk/fe/tpl_universityofleeds01.asp?s=4A515F4E5A565B1Ajobid=110947,6951214874key=11037106c=612123217223pagestamp=sepwjldjailxhilecl Job Summary

Re: [ccp4bb] Stereo monitors for use with Pymol and Coot

2014-03-11 Thread Nic Steussy
Matic, I am struggling with Ubuntu on this issue. The Nvidia driver needs the 'Composite' function disabled in order to function in 3D.  This required the use of the Unity-2D package to disable the 3D used in the Ubuntu desktop effects.  This worked

Re: [ccp4bb] Stereo monitors for use with Pymol and Coot

2014-03-11 Thread Robert Campbell
Hi Nic, There is no reason that you have to use the Unity desktop at all. I prefer using the XFCE4 desktop myself. It is easily installable from the Ubuntu repositories and then you just have to select it at login. Cheers, Rob On Tue, 2014-03-11 14:44 EDT, Nic Steussy csteu...@purdue.edu

Re: [ccp4bb] Stereo monitors for use with Pymol and Coot

2014-03-11 Thread Robert Campbell
Hi Nic, There is no reason that you have to use the Unity desktop at all. I prefer using the XFCE4 desktop myself. It is easily installable from the Ubuntu repositories and then you just have to select it at login. In one of the xfce4 settings options (Window Manager Tweaks) you can disable

[ccp4bb] Research Specialist Position at UCSF

2014-03-11 Thread Jura, Natalia
UNIVERSITY OF CALIFORNIA SAN FRANCISCO (UCSF) RESEARCH SPECIALIST, JURA LAB A research specialist position in Receptor Tyrosine Kinase Structural Biology is available immediately in the lab of Prof. Natalia Jura at the University of California, San Francisco (UCSF). The Jura Lab merges

Re: [ccp4bb] twinning problem ?

2014-03-11 Thread Zbyszek Otwinowski
Shape of the diffraction spots changes in the statistical disorder -- twinning continuum. At both ends spots shape is like in diffraction from crystals without such disorder. However, in the intermediate case, electron density autocorrelation function has additional component to one resulting

[ccp4bb] Set up ccp4 environment

2014-03-11 Thread Uma Ratu
Dear All: I try to run xds in linux, but have some problems. With xdsconv, it complains: f2mtz: error while loading shared libraries: libccp4f.so.0: cannot open shared object file: No such file or directory cad: error while loading shared libraries: libccp4f.so.0: cannot open shared object