[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

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 p.du...@ibmc-cnrs.unistra.frwrote: Le

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

2011-02-09 Thread Thomas Juettemann
10:38 AM, Thomas Juettemann wrote: 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

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 rex.pal...@btinternet.com wrote: Does anyone know of a statistical breakdown of successful protein structure determinations in terms of the method used? Rex Palmer

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 j-kell...@fsm.northwestern.edu wrote: Why, by the way, is the default text editor in windows, notepad, such a

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.) hofkristall...@gmail.com 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

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=UTF8s=booksqid=1278618216sr=1-3 Cheers, Thomas On Thu, Jul 8, 2010 at 12:35, Peter Hsu hsuu...@u.washington.edu wrote: Hi all, I haven't gotten past the phase of growing

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

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

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

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 ianj...@gmail.com wrote: On Thu, Apr 29, 2010 at 4:25 PM, Edward A. Berry ber...@upstate.edu wrote: Command-line param like XYZIN don't seem to be shell variables, but can be

[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