[ccp4bb] Off Topic: Seeking references / reviews on Enzyme engineering

2011-08-02 Thread Partha Chakrabarti
Dear BBusers, Could you point me to a few classic reviews on enzyme engineering? In particular: a) pH, thermal pressure stability b) de novo design c) increasing low temperature activity Regards, Partha

[ccp4bb] Enterokinase cleavage of His-tagged proteins

2011-08-02 Thread Benini Stefano (P)
Dear All, I decided to use a LIC vector with enterokinase cleavage site for His tag removal. Of course I did not check the length of the linker (about 45 aa) nor if the enterokinase cleavage site would be the best choice Do you know where I could purchase a decent quality with

[ccp4bb] Trouble compiling ccp4 in osx: stalled at checking for working non-fixed mmap

2011-08-02 Thread Miguel Ortiz Lombardía
Dear all, I have successfully compiled ccp4 6.2.0 on an OSX (10.6.8) machine but I'm failing to do the same in a different one, though with the same system setup. In the machine giving me trouble I want to install ccp4 in a nfs disk mounted. When I run configure using exactly the same input as in

Re: [ccp4bb] Trouble compiling ccp4 in osx: stalled at checking for working non-fixed mmap

2011-08-02 Thread Clemens Vonrhein
Dear Miguel, yes, I hit the same issue - and for me the machine then completely freezes and needs a reboot. The patch for configure: --- configure.orig 2011-05-05 16:07:55.0 +0100 +++ configure 2011-07-21 16:05:57.0 +0100 @@ -3206,6 +3206,9 @@ if test $system =

Re: [ccp4bb] Trouble compiling ccp4 in osx: stalled at checking for working non-fixed mmap

2011-08-02 Thread Phil Evans
When I've built CCP4 on OSX I've just used configure with no arguments it's worked On 2 Aug 2011, at 12:59, Miguel Ortiz Lombardía wrote: Dear all, I have successfully compiled ccp4 6.2.0 on an OSX (10.6.8) machine but I'm failing to do the same in a different one, though with the same

Re: [ccp4bb] Trouble compiling ccp4 in osx: stalled at checking for working non-fixed mmap

2011-08-02 Thread Peter Keller
Dear list, On Tue, 2011-08-02 at 13:03 +0100, Clemens Vonrhein wrote: Dear Miguel, yes, I hit the same issue - and for me the machine then completely freezes and needs a reboot. I wrote this mmap test (back when VMS was still supported by CCP4, and porting CCP4 to Mac's was just an idea

[ccp4bb] print cmd.align in PYMOL

2011-08-02 Thread G Y
Dear all, A question for PYMOL. The command print cmd.align will align two pdbs and print out some informations like: (3.7496898174285889, 42, 1, 3.7496898174285889, 42, 20.0, 2) My question is what are the meaning of those number? which one is RMSD? Many thanks! G

Re: [ccp4bb] print cmd.align in PYMOL

2011-08-02 Thread Thomas Holder
The numbers are: 1) RMSD after refinement 2) Number of aligned atoms after refinement 3) Number of refinement cycles 4) RMSD before refinement (raw sequence alignment) 5) Number of aligned atoms before refinement 6) Raw alignment score 7) Number of residues aligned The refinement drops

Re: [ccp4bb] Trouble compiling ccp4 in osx: stalled at checking for working non-fixed mmap

2011-08-02 Thread Ethan Merritt
On Tuesday, 02 August 2011, Peter Keller wrote: Dear list, On Tue, 2011-08-02 at 13:03 +0100, Clemens Vonrhein wrote: Dear Miguel, yes, I hit the same issue - and for me the machine then completely freezes and needs a reboot. I wrote this mmap test (back when VMS was still

[ccp4bb] prescission protease cutting site

2011-08-02 Thread Jerry McCully
Dear ALL; We are going to use the prescission protease cutting site (LEVLFQ/GP ) in our cloning vector to remove the His6 tag. Do we need to insert some linkers between this cutting site and the target protein to improve the cleavage efficiency? Or we are

Re: [ccp4bb] prescission protease cutting site

2011-08-02 Thread Marco Lolicato
Dear McCully, I always used this protease with a cleavage success near to 100% at 4°C over night without shaking. Concerning the construct, I putted the first Met just after the sequence LEVLFQ/GP SSP, so I added only three aminoacids after the cleavage site. All the best, Marco Il

[ccp4bb] EMBO|EMBL Symposium: Structure and Dynamics of Protein Networks, 13 - 16 October 2011

2011-08-02 Thread Wolfgang Huebner
Dear Colleagues, We are pleased to announce the EMBO|EMBL Symposium: Structure and Dynamics of Protein Networks, 13 - 16 October 2011 Please visit the conference website: http://www.embo-embl-symposia.org. The symposium will take place in Heidelberg, Germany at the EMBL Advanced Training

Re: [ccp4bb] Newbie Installation Question- Solved

2011-08-02 Thread Yuri
I can launch the program after installing the newest package from the Website Thank you all, yuri On Mon, 1 Aug 2011 17:01:47 +, ronan.kee...@stfc.ac.uk wrote: Dear Yuri, Are you still encountering problems with this? I've made the changes to the CCP4 download site so that the

[ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Young-Jin Cho
Dear CCP4 experts, I would like to ask if there is a clear way to distinguish Na+ and HOH molecules in the electron density map. The table I have suggests Na to O distance lies between 2.35 and 2.45 that is very hard to discern the difference of these two candidates. Na+ may have several

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Jacob Keller
I asked the CCP4 experts this question a while back--maybe try searching the archive? There were some very helpful comments. Jacob On Tue, Aug 2, 2011 at 1:24 PM, Young-Jin Cho yj...@brandeis.edu wrote: Dear CCP4 experts, I would like to ask if there is a clear way to distinguish Na+ and HOH

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Robbie Joosten
Dear Young-Jin, If you model it as water, you can use WASP. It's an old program but still accesible here: http://xray.bmc.uu.se/cgi-bin/gerard/rama_server.pl Cheers, Robbie Date: Tue, 2 Aug 2011 14:24:09 -0400 From: yj...@brandeis.edu Subject:

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Christina Bourne
Hi Robbie and all- The link from that page is dead...and an inquiry to the webmaster bounced.  Anyone know where WASP is now? Thanks Christina Oklahoma State University From: Robbie Joosten robbie_joos...@hotmail.com To: CCP4BB@JISCMAIL.AC.UK Sent: Tuesday,

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Sean Seaver
Hi Christina, The WASP server seems to working at this location (about half way down the page): http://www.jcsg.org/prod/scripts/validation/sv2.cgi I hope that helps. Take Care, Sean P212121 http://store.p212121.com/

[ccp4bb] off-topic: Small molecule service MS

2011-08-02 Thread Patrick Loll
Can anyone recommend a good fee-for-service facility that does routine high-res mass spec on small molecules? Probably best to reply off-line; and I'd ask you to limit suggestions to facilities within the continental US (for reasons of convenience, rather than chauvinism). Thanks, Pat

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread sujata halder
Hi, I decided to give the server a try...and the output is: FILE NOT FOUND: /prod/tmp/individual_validation/output_wasp/25854/bindividual6Na.ion Either my pdb does not have any metal ions or this server is currently not working. Sujata On Tue, Aug 2, 2011 at 5:04 PM, Sean Seaver

Re: [ccp4bb] prescission protease cutting site

2011-08-02 Thread Antony Oliver
Dear Jerry, Our in-house series of vectors encode the Rhinovirus 3C-protease site, followed directly by a NdeI site, which after cleavage leaves just GPHM on the front of your protein. We routinely get 100% cleavage with incubation overnight at 4˚C — and have several xtal structures to boot.

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread Sean Seaver
Hi Jacob, Darn that site doesn't seem to be working. I generated the files ion files and thought it was good to go, but didn't view the outputs. Apologies, Sean Seaver P212121 http://store.p212121.com/

Re: [ccp4bb] Sodium ion vs. Water

2011-08-02 Thread ccp4
Search for Metal Cordination sites in Proteins. It takes you to a site set up by Marjorie Harding which gives a table of known metal coordination extracted from the PDB including Na. Of course there may be errors in the PDB entries but it is very helpful I find Eleanorr On Tue, 2 Aug 2011