[ccp4bb] Announcement of the Sixth International Workshop on X-ray Radiation Damage to Biological,Crystalline Samples. SSRL 11-13th March 2010.

2009-08-24 Thread Elspeth Garman
The Sixth International Workshop on X-ray Radiation Damage to Biological Crystalline Samples will be held at the Stanford Synchrotron Radiation Laboratory from 13:00 March 11th to 13:00 March 13th 2010. This series of workshops was originally concerned with the effects of radiation damage

[ccp4bb] Request for def.site for HKL2000 for ESRF-BM14 MAR 225 CCD

2009-08-24 Thread S. Karthikeyan
Dear All, I am looking for def.site file for HKL2000 used in ESRF-BM14 beam line. We collected the data using MAR 225 CCD detector. The following link does not seem to work for me. http://www.esrf.fr/exp_facilities/BM14/runexperiment/bm14-def.site We need this file to process our data in the

Re: [ccp4bb] Request for def.site for HKL2000 for ESRF-BM14 MAR 225 CCD

2009-08-24 Thread S. Karthikeyan
Dear All, I got the file. Thanks a lot for the same. I apologize for posting a 'non-CCP4' question to the CCP4BB. With regards S.Karthikeyan Dear All, I am looking for def.site file for HKL2000 used in ESRF-BM14 beam line. We collected the data using MAR 225 CCD detector. The following

[ccp4bb] Linux flavour and hard disks

2009-08-24 Thread Claudia Scotti
Dear List, I'm planning to migrate soon from Red Hat Linux 7.0 on an HP xw6000 workstation with dual Xeon processor. Please, any suggestion for the best Linux flavour to get the most out of today's crystallographic software? I've seen that both Ubuntu and Fedora are quite common.

Re: [ccp4bb] Linux flavour and hard disks

2009-08-24 Thread Roger Rowlett
I've used both Fedora (RH 9 through Fedora 8) and Ubuntu 9.04 for crystallogrpahy. Both are fine distros. Ubuntu was a little better working out of the box with all the hardware, and maintenance of the restricted Nvidia drivers is simpler. For some reason, Wine compatibility was better, too.

Re: [ccp4bb] Linux flavour and hard disks

2009-08-24 Thread Adam Ralph
Dear Claudia, I use Ubuntu and I am happy with it, cannot say if it is the best. It is relatively easy to maintain which is what you want. As for HD, try and determine how much space a typical project would need and how many concurrent projects there might be. Data from images would be

Re: [ccp4bb] Linux flavour and hard disks

2009-08-24 Thread artem
I've just set up two home computers for crystallographic work. I decided to play around, and set one up with Ubuntu and the other one with Fedora core 11. Both did OK but I'd say that I had to perform marginally less tweaking with Fedora than with Ubuntu. As far as disk space - you can cram

Re: [ccp4bb] Linux flavour and hard disks

2009-08-24 Thread William G. Scott
On Aug 24, 2009, at 7:49 AM, ar...@xtals.org wrote: my two cents: don't get involved in nerdy discussions Here's a useful summary: http://bandcamp.tv/linux-demotivators/

Re: [ccp4bb] Linux flavour and hard disks

2009-08-24 Thread Ian Tickle
-Original Message- From: owner-ccp...@jiscmail.ac.uk [mailto:owner-ccp...@jiscmail.ac.uk] On Behalf Of Adam Ralph Sent: 24 August 2009 15:25 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Linux flavour and hard disks You also need a swap partition, this should be 2 to 3 times the

[ccp4bb] phaser troubles

2009-08-24 Thread Sylvia Fanucchi
Hi This is probably an obvious one but I'm having trouble getting Phaser to run. It simply says the status is starting and will not give me more information in the log file. I suspect the problem has to do with the F and Sigma F values but I am not sure what to assign them as? Any help would

Re: [ccp4bb] phaser troubles

2009-08-24 Thread Mark Brooks
Hi, is the problem related to one of the problems listed below? (taken from the CCP4i troubleshooting page http://www.ccp4.ac.uk/ccp4i/trouble_shooting.html ): If I recall correctly, once I saw similar behaviour when my $CCP4I_TCLTK/tclsh was pointing to an incorrect directory. I hope that

Re: [ccp4bb] Linux flavour and hard disks

2009-08-24 Thread mjvdwoerd
Hi Claudia, There is an option that has not been mentioned yet and has a very obvious advantage: CentOS. I am mentioning this because it is identical in functionality to Red Hat and therefore it will take the least of your time to move to a new system. We like CentOS because it is derived

[ccp4bb] shape complementarity

2009-08-24 Thread amit sharma
Dear All, Could someone please suggest me program(s) to get the shape complementarity index for a protein complex structure of mine? Many thanks -- Amit Sharma, Ph.D. Research Associate, Department of Biology, University of York, YO10 5DD UK

Re: [ccp4bb] shape complementarity

2009-08-24 Thread Edward A. Berry
amit sharma wrote: Dear All, Could someone please suggest me program(s) to get the shape complementarity index for a protein complex structure of mine? Many thanks sc, by Michael Lawrence: http://www.ccp4.ac.uk/dist/html/sc.html (included in ccp4 distro)

Re: [ccp4bb] phaser troubles

2009-08-24 Thread Joseph Ho
Hi, Sylvia: Did you also install Phenix in your machine? Phenix contains another version of phaser and will alias phaser to the phaser in Phenix. Try to type which phaser. If your command is not aliased to the phaser in your ccp4 version. Just use runview com file in the ccp4 and type in the

Re: [ccp4bb] phaser troubles

2009-08-24 Thread Nathaniel Echols
On Mon, Aug 24, 2009 at 12:30 PM, Joseph Ho j...@medusa.bioc.aecom.yu.eduwrote: Did you also install Phenix in your machine? Phenix contains another version of phaser and will alias phaser to the phaser in Phenix. No, it will be called phenix.phaser. The Phenix environment scripts

[ccp4bb] FPLC for sale

2009-08-24 Thread Natalie Roy
Dear All: Please see attached is an ad for our AKTAprime plus FPLC system which is only 2 years old, used a dozen times and in excellent condition. Thanks, Natalie Roy FPLC for sale.doc Description: MS-Word document

[ccp4bb] Sketcher and Refmac monomer library construction

2009-08-24 Thread Roger Rowlett
CCP4bbers, I am trying to do a restrained refinement in refmac using a rhenium tricarbonyl (RTC) fragment similar to the one in PDB 1I53. My understanding of how to proceed is to take the PDB description of the file, read it into sketcher, and then run libcheck to create the various cif and

[ccp4bb] How to work around strange naming XYZIN convention?

2009-08-24 Thread Ethan Merritt
Not sure this is the right place to ask, but... I'm trying to chain some ccp4 programs together via a script. It creates temporary files with arbitrary names based on the process id. The problem is that when I try to pass one of these files to the next program in the chain, as in: tlsanl

Re: [ccp4bb] Linux flavour and hard disks

2009-08-24 Thread James Stroud
On Aug 24, 2009, at 8:32 AM, William G. Scott wrote: On Aug 24, 2009, at 7:49 AM, ar...@xtals.org wrote: my two cents: don't get involved in nerdy discussions Here's a useful summary: So it's freebsd then?

[ccp4bb] FPLC for sale *PRICE*

2009-08-24 Thread Natalie Roy
Hi everyone, Thank you for all the replies to the ad I posted about the FPLC for sale, we are asking $11,000 CAD for the system and all of its components, but we are willing to negotiate price. The UV lamp is also 2 years old but only been used about a dozen times. Shipping will be