[ccp4bb] scala on mac osx - off topic, really

2008-05-07 Thread Andreas Förster
Hey all, a colleague is running ccp4 6.0.2 on a MacBook with Timid Tiger. Built-in Scala is 3.2.25. Because of a bug, he wants to upgrade Scala. Running Scala 3.3.2-beta5 or 3.2.34 (phil's binaries) fails because gcc shared libraries are missing. Here's the setup: [dyn1208-14:ttgt/TT/proc

Re: [ccp4bb] scala on mac osx - off topic, really

2008-05-07 Thread Chris Richardson
On 7 May 2008, at 13:32, Andreas Förster wrote: a colleague is running ccp4 6.0.2 on a MacBook with Timid Tiger. Built-in Scala is 3.2.25. Because of a bug, he wants to upgrade Scala. Running Scala 3.3.2-beta5 or 3.2.34 (phil's binaries) fails because gcc shared libraries are missing. I

[ccp4bb] ad for POSTDOCTORAL POSITION IN STRUCTURAL BIOLOGY

2008-05-07 Thread Barbara Gerratana
To whom it may concern, Can you please post the ad shown her? Thanks POSTDOCTORAL POSITION IN STRUCTURAL BIOLOGY Department of Chemistry and Biochemistry University of Maryland, College Park We are seeking outstanding postdoctoral candidates holding a Ph. D. with a background in protein crysta

[ccp4bb] Off Topic - Problems with Taylor Wharton CX-100 series dry shippers

2008-05-07 Thread John Rose
Hi, Based on SER-CAT user input we are trying to assess the meantime between failure for the Taylor Wharton CX-100 series dry shipper. If you have experienced problems with the Taylor Wharton CX-100 dry shippers where crystals have been lost we ask you please complete the following survey

Re: [ccp4bb] scala on mac osx - off topic, really

2008-05-07 Thread William Scott
On May 7, 2008, at 5:57 AM, Chris Richardson wrote: I tried another tack. I edited the ccp4.info file (in /sw/fink/10.4/ unstable/main/finkinfo/sci) to download the scala_3.2.34 source code and unpack it over the top of the rest of the source. I'm fairly sure that you're *not* supposed to

[ccp4bb] How to create TLS file

2008-05-07 Thread U Sam
Suggestion please. How TLS file is created to be used in Refmac refinement. Thanks. Sam _ Get Free (PRODUCT) RED™ Emoticons, Winks and Display Pics. http://joinred.spaces.live.com?ocid=TXT_HMTG_prodredemoticons_052008

Re: [ccp4bb] How to create TLS file

2008-05-07 Thread Georg Zocher
U Sam schrieb: Suggestion please. How TLS file is created to be used in Refmac refinement. Thanks. Sam _ Get Free (PRODUCT) RED™ Emoticons, Winks and Display Pics. http://joinred.spaces.live.com?ocid=TXT_HMTG_prodredemoticons_052008

Re: [ccp4bb] How to create TLS file

2008-05-07 Thread David R. Cooper
The CCP4i method is to use the "Create / Edit TLS File" task in the "Refinement" module. I have used the TLSMD-server before, and I do like it. I did notice that my R-free would be lower if I used the server's definitions of TLS groups, but let Refmac do the TLS analysis from scratch instead o

Re: [ccp4bb] HKL2000 and gcc4 - redux

2008-05-07 Thread Chris Waddling
After further reflection upon my HKL2000 post a few days ago, I felt I needed to clarify a few things and address some of the responses that I got to the post. Most of all, I think it necessary for me to offer my sysadmin an unqualified apology. First off, in no way was my he impeding our ability

Re: [ccp4bb] HKL2000 and gcc4 - redux

2008-05-07 Thread William Scott
mosflm is an incredibly great program, not to mention free as in beer... On May 7, 2008, at 3:07 PM, Chris Waddling wrote: my frustration at HKL2000 not working

Re: [ccp4bb] HKL2000 and gcc4 - redux

2008-05-07 Thread Gerard Bricogne
Dear Chris, Bill just beat me to writing the same. I would mention XDS as well. With best wishes, Gerard. -- On Wed, May 07, 2008 at 03:17:07PM -0700, William Scott wrote: > mosflm is an incredibly great program, not to mention free as in beer... > > > >

Re: [ccp4bb] HKL2000 and gcc4 - redux

2008-05-07 Thread Chris Waddling
Agreed, but it's nice to have options, as I'm sure we've all experienced, one program (and sometimes it's HKL2000) just seems to work better than another with some data. But yes, being that this is the CCP4BB, mosflm does indeed rock. Thanks, Chris > From: Gerard Bricogne <[EMAIL PROTECTED]>

Re: [ccp4bb] HKL2000 and gcc4 - redux

2008-05-07 Thread Bryan W. Lepore
> mosflm Bill just beat me to writing the same. I would mention XDS as well. labelit will index your images http://adder.lbl.gov/labelit/ ... then you give the scripts to mosflm. there's plenty of Acta Cryst. there to read too. -bryan

[ccp4bb] metal atoms written from coot in refmac

2008-05-07 Thread Leonard Thomas
I have run across a problem and I am not sure where it originates from. When I use a pdb input file that contains a metal atom, say Cu, that has been written out by coot in refmac I get a read error of the sort that refmac does not recognize the Cu. If I then edit the pdb file and change

[ccp4bb] combine Se-SAD phase with Model-phase

2008-05-07 Thread Raja Dey
Hi, It would be of great help if you can give some suggestion on the following problem. I have two data sets of a complex molecule. One is native (3.6A) and the other is Se-der (4.5A). In one complex molecule I have one homo-dimer in complex with DNA( 2 times 90 aa + 2 times 15 na = ~MW 28000,