[ccp4bb] Database with protein experimental pKa values, with possibility to search for Cysteines and .pdb structure

2011-08-24 Thread Thomas Juettemann
Hello all, this might not be the appropriate place, but I was wondering if anyone knows of a database with protein experimental pKa values, with possibility to search for Cysteines and .pdb structures. "PINT: Protein-protein Interactions Thermodynamic Database" seems to be down. The question aro

Re: [ccp4bb] Fw: Re: [ccp4bb] Solidarity with Japan

2011-03-16 Thread Thomas Juettemann
http://japan.person-finder.appspot.com/?lang=en The latest numbers I read is that they have 140,000 records, unfortunately there is no information about TAKENAKA Akio available yet. Best wishes, Thomas On Wed, Mar 16, 2011 at 21:17, Philippe DUMAS wrote: > Le 16/03/2011 17:59, REX PALMER a écr

Re: [ccp4bb] First images of proteins and viruses caught with an X-ray laser

2011-02-09 Thread Thomas Juettemann
thods published under PMID: > 20389587. > > -James Holton > MAD Scientist > > On 2/9/2011 10:38 AM, Thomas Juettemann wrote: >> >> http://www.nanowerk.com/news/newsid=20045.php >> >> http://home.slac.stanford.edu/pressreleases/2011/20110202.htm >> >>

[ccp4bb] First images of proteins and viruses caught with an X-ray laser

2011-02-09 Thread Thomas Juettemann
http://www.nanowerk.com/news/newsid=20045.php http://home.slac.stanford.edu/pressreleases/2011/20110202.htm I think it is pretty exciting, although they only take the few datasets that conform to their existing model: "The team combined 10,000 of the three million snapshots they took to come up

Re: [ccp4bb] Structures determined: breakdown of methods

2011-01-15 Thread Thomas Juettemann
Is this: http://www.pdb.org/pdb/statistics/holdings.do what you are looking for? On Sat, Jan 15, 2011 at 21:28, REX PALMER wrote: > Does anyone know of a statistical breakdown of successful protein structure > determinations in terms of the method used? > > Rex Palmer > Birkbeck College >

Re: [ccp4bb] pdb formats

2010-12-14 Thread Thomas Juettemann
It trains you to only use files created by MS Windows and complain if you get files that use another standard. As usual, follow the money... On Tue, Dec 14, 2010 at 14:45, Jacob Keller wrote: > Why, by the way, is the default text editor in windows, notepad, such > a lousy text editor? (Sounds li

Re: [ccp4bb] Milch and Minor

2010-10-18 Thread Thomas Juettemann
I certainly did not email it to him! On Mon, Oct 18, 2010 at 19:05, Bernhard Rupp (Hofkristallrat a.D.) wrote: > Dear All, > > my J Appl Cryst collection does not extend far enough to unearth > > J. Appl. Cryst. (1974). 7, 502-505    [ doi:10.1107/S0021889874010284  ] > The indexing of single-cry

Re: [ccp4bb] Beginning crystallography text

2010-07-08 Thread Thomas Juettemann
This book worked great for me: http://www.amazon.com/Crystallography-Made-Crystal-Clear-Third/dp/0125870736/ref=sr_1_3?ie=UTF8&s=books&qid=1278618216&sr=1-3 Cheers, Thomas On Thu, Jul 8, 2010 at 12:35, Peter Hsu wrote: > Hi all, > > I haven't gotten past the phase of growing the crystal, but I'

Re: [ccp4bb] How to align a sequence to a know profile

2010-06-01 Thread Thomas Juettemann
Does chainsaw not the opposite? Pruning a coordinate file based on non-conserved residues identified in a MSA? Yuan has a MSA of known structures and a sequence he wants to add to it. I am always keen to learn about alignment programs, it would be great to know how to use chainsaw for this problem.

Re: [ccp4bb] How to align a sequence to a know profile

2010-05-31 Thread Thomas Juettemann
Dear Yuan, the MUSCLE program can do that for you. It is capable of doing profile-profile and profile-sequence alignments. http://www.drive5.com/muscle/muscle_userguide3.8.html#_Toc260497021 Section 2.10 of the manual should be what you want. Cheers, Thomas On Mon, May 31, 2010 at 01:46, Tim G

Re: [ccp4bb] Alignment software

2010-05-26 Thread Thomas Juettemann
Another alignment tool worth to keep an eye on is this one: http://foldit.wikia.com/wiki/Alignment_Tool They are still debugging, but the plan is to release a standalone version after CASP9. Or at least a version that runs in a standalone FoldIt version. On Tue, May 25, 2010 at 15:18, Victor A

Re: [ccp4bb] automise ncont

2010-05-03 Thread Thomas Juettemann
Many thanks for all answers, it is greatly appreciated. Best wishes, Thomas On Thu, Apr 29, 2010 at 09:50, Ian Tickle wrote: > On Thu, Apr 29, 2010 at 4:25 PM, Edward A. Berry wrote: >> Command-line param like XYZIN don't seem to be shell variables, >> but can be set by variables: >> >> bin/nco

[ccp4bb] automise ncont

2010-04-29 Thread Thomas Juettemann
Dear all, I am pretty new to the CCP4 suite. I am trying to automise the execution and parsing of ncont. Could someone advise me how (if possible) to pass parameters to the program? I am trying to do something like bin/ncont XYZIN 1FNT_BJ.pdb source /*/B target /*/J maxdist 6.0 and have the out