Re: [ccp4bb] shape complementarity calculations

2009-03-04 Thread Pierre Rizkallah
Hi Vaheh, Below is a reply I made to the BB in 2007 after a similar enquiry. I expect the program should still work the same, although I haven't used it in recent releases. You have to run it from line command, as there is no interface for it in CCP4i. If you are running under Windows, as I do,

[ccp4bb] PhD position available

2009-03-04 Thread Albane le Maire
Dear all, Please could you bring this advert to the attention of any potential candidates? An International PhD Program was recently created by the Doctoral School "CBS2-Sciences Chimiques et Biologiques pour la Santé" to attract students who wish to undertake a thesis financed by the French g

Re: [ccp4bb] Broken chain in Pymol display

2009-03-04 Thread Herman . Schreuder
Hi Joe, Do you have insertions (e.g. residues 62A, 62B, 62C) or deletions (e.g. residues 42 and 45) which are connected? These may cause broken connectivities in pymol. In this case, I would renumber the pdb file and see how it then displays. Best regards, Herman -Original Message- From

[ccp4bb] AW: [ccp4bb] Broken chain in Pymol display

2009-03-04 Thread Clemens Steegborn
Hi Joe, check chainID and segID; there might be a break in one of them not noticed by phenix because it uses the other one, but then leading to an apparent backbone break in coot because it uses the other one ... Best Clemens -Original Message- From: CCP4 bulletin board [mailto:ccp...

[ccp4bb] Crystallographer Position Available at Merck Research Laboratories

2009-03-04 Thread Soisson, Stephen M
All- We currently have one open position for an x-ray crystallographer at Merck Research Labs in Pennsylvania. The official job posting is pasted below, and if you are interested in applying, please apply formally through the Merck Website (www.merck.com/careers) with Job ID BIO001940. Best Wis

Re: [ccp4bb] Problem with setting up ccp4 gui

2009-03-04 Thread Stein, ND (Norman)
Hi Jan If they exist, could you please send me any of the .log files in the following directory: ~/.CCP4/ In particular the file dbhandler.log. These should help to fix the problem. Thanks Norman Stein CCP4 -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk]

[ccp4bb] Rigaku RUH3R Generator for Free

2009-03-04 Thread Thomas Schalch
Hello, We are upgrading our x-ray crystallography system. The old equipment includes Rigaku RUH3R generator and RAXIS-IIc detector is available for FREE. You are responsible for shipping. If you are interested, please contact Ming Wang at wa...@cshl.edu. Below is list of component of the equipme

[ccp4bb] .phs file conversion

2009-03-04 Thread John Bruning
Hi, I have a .phs file with map coefficients that I would like to open in pymol. So, I would like to convert the file to either a ccp4 or cns map file, or a file format that pymol will recognize. I do not have an .mtz file with the same map coefficients included. Can anyone help me? Thanks, J

Re: [ccp4bb] .phs file conversion

2009-03-04 Thread Mo Wong
Hi, Not the quickest way, but you can easily convert PHS files to MTZ files using CCP4i ("Convert to/modify/extend MTZ" - via the f2mtz programme). Then generate the map as you would a normal MTZ file. Since PHS files come in 2 flavours, check the following web site to see which format your's is

Re: [ccp4bb] .phs file conversion

2009-03-04 Thread Bart Hazes
SFTOOLS should read the phs file and allow you to write it out in a number of different formats, including MTZ. From the command line type: sftools read yourfile.phs write yourfile.mtz quit The program will ask a bunch of questions to get space group, unit cell etc. Bart John Bruning wrote:

Re: [ccp4bb] .phs file conversion

2009-03-04 Thread Mark A. White
From: Mark A. White To: John Bruning Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] .phs file conversion Date: Wed, 4 Mar 2009 14:16:47 -0600 John, The PHS file has the coefficients to make a map, along with the cell parameters, but is not itself a map. There are a few choices. 1) View the

Re: [ccp4bb] .phs file conversion

2009-03-04 Thread tommi kajander
hi, i didnt notice anyone mention phs2mtz can be found here at least: http://schneider.group.ifom-ieo-campus.it/hkl2map/index.html -tommi On 4.3.2009, at 23.24, Bart Hazes wrote: SFTOOLS should read the phs file and allow you to write it out in a number of different formats, including MTZ.

[ccp4bb] MAX-lab beamtime Deadline March 20th 2009

2009-03-04 Thread Thomas Ursby
CALL FOR PROPOSALS for beam time at MAX-lab, Lund, Sweden. Researchers using synchrotron radiation are invited to submit proposals for beam time for experiments to be carried out during the time period July 2009 to June 2010. The available facilities include beamlines for MX and SAXS, see bel