Re: [ccp4bb] Asset stripping the Uppsala Software Factory...

*** > Gerard J. Kleywegt > >http://xray.bmc.uu.se/gerard mailto:ger...@xray.bmc.uu.se > ** > The opinions in this message are fictional. Any similarity &

Re: [ccp4bb] Python problem

c number in > /System/Library/Frameworks/Python.framework/Versions/2.6/lib/python2.6/os.pyc > > and so on I guess > > Phil remove all *.pyc and *.pyo. That are byte-compiled file from your *.py which can be safely deleted. Once you run or import an python file they will be recreat

[ccp4bb] Pyroglutamate in structure calculation

aria GUI works. Both ways give an error related to an unknown amino acid. Could someone please point me to the correct way to setup the run and calculate the structure? Where do I need to include the additional topa/para definitions? Thanks justin -- Justin Lecher Institute of Complex Systems

Re: [ccp4bb] Pyroglutamate in structure calculation

dditional > topa/para definitions? > > > Thanks justin > > Sorry wrong list. :| -- Justin Lecher Institute of Complex Systems ICS-6 Structural Biochemistry Research Centre Juelich 52425 Juelich, Germany phone: +49 2461 61 2117 smime.p7s Description: S/MIME Cryptographic Signature

Re: [ccp4bb] Pyroglutamate in structure calculation

help you. > > Cheers > Martyn > Right thanks, I just started to type "ccp" in my mail client and the ccp4bb appeared on top of ccpnmr so I used that one. I just sent the mail to the wrong list. Sorry. -- Justin Lecher Institute of Complex Systems ICS-6 Structural Biochem

Re: [ccp4bb] COOT library

e) but > it doesn't work. > > Thanks > > Eric Try also set CLIBD_MON to that path. justin -- Justin Lecher Institute of Complex Systems ICS-6 Structural Biochemistry Research Centre Juelich 52425 Juelich, Germany phone: +49 2461 61 2117 smime.p7s Description: S/MIME Cryptographic Signature

Re: [ccp4bb] [OT] peroxids in Triton

t and > am pre-seeding it with questions. > > Regards, > > Matt > UCSF > > Hi Matt, no I didn't. I only extrapolated some values from what the companies guaranty as maximum concentration in the products a date of shipping. But yes, of course do repaste this post. Do I ge

Re: [ccp4bb] Please remove me from this list

If you take a look into the header of your mail, you will find following three lines: List-Help: , List-Subscribe: List-Unsubscribe: <

Re: [ccp4bb] different compilers for ccp4 code

aster, 5-10% max, but that the gnu compilers have been >> closing the gap. > > true > It is extremely noticeable for cns. With similar optimizations you get a boost of more then 30% comparing the gcc/gfortran and ifc/icc builds. -- Justin Lecher Institute for Neuroscience

[ccp4bb]

Xie Jiabao schrieb: Hi, Can anyone direct me to a program that calculates a protein cavity's dimensions (average) and not just its volume? Thanks in advance, Xie http://loschmidt.chemi.muni.cz/caver/ The program is called caver. -- Justin Lecher Institute for Neuroscience and Bioph

Re: [ccp4bb] CCP4 6.1 release date? (again)

gt; > Victor Alves Hi Victor, if you take a look at the ftp servers, you will already find the 6.1 packages, although there is no release announcement yet. ftp://ftp.ccp4.ac.uk/ccp4/6.1/ Thanks, justin -- Justin Lecher Institute for Neuroscience and Biophysics INB 2 - Molecular Bi

Re: [ccp4bb] updated XDS binaries available

.." You're arguments truly right. And it is your decision whether you give the user an "unsupported" way to skip update or force the to do an update. Thanks, justin P.s. For all gentoo users it is pretty easy, the package will bump with the release of a new version Mr. Kabsch.

Re: [ccp4bb] updated XDS binaries available

this procedure from other scientific software. It is easy to apply, but also reminds to update if possible. Thanks, justin -- Justin Lecher Institute for Neuroscience and Biophysics INB 2 - Molecular Biophysics II Research Centre Juelich GmbH, 52425 Juelich,Germany phone: +49 2461 61 5385

Re: [ccp4bb] coot crashes

William G. Scott schrieb: > On Mar 2, 2009, at 4:25 AM, Vellieux Frederic wrote: > >> Any idea? > > Is it there? > > http://www.mail-archive.com/ubuntu-b...@lists.ubuntu.com/msg663049.html It was on the ccp4bb not on thc COOT list. -- Justin Lecher Institute for Neu

[ccp4bb] structure <-> function

structure alignments. Does anyone could give me some good examples? Thanks Justin -- Justin Lecher Institute for Neuroscience and Biophysics ISB3 - structural biochemistry Research Centre Juelich GmbH, 52425 Juelich,Germany phone: +49 2461 61 5385 signature.asc Description: OpenPGP digital

Re: [ccp4bb] structure <-> function

Many thanks to everyone who replied. Once again a proof of this community! I am sure I will find what I am looking for in the cited publications. Thanks, justin -- Justin Lecher Institute for Neuroscience and Biophysics ISB3 - structural biochemistry Research Centre Juelich GmbH, 52425

Re: [ccp4bb] structure <-> function

es", and link > them to > http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Proteins ? > > best, > > Kay Hi Kay, it might take some days, but I will write some thing to summarize all the many articles. It is a really supreme overview of the topic thanks, justin -- Justin

[ccp4bb] ctruncate problems

,SIGI(-)]" http://dev.gentooexperimental.org/~jlec/paste/bad.log.html /usr/bin/ctruncate -mtzin data/mtz/X13089.mtz -mtzout out.mtz http://dev.gentooexperimental.org/~jlec/paste/good.log.html Thanks justin -- Justin Lecher Institute for Neuroscience and Biophysics ISB3 - stru

Re: [ccp4bb] ctruncate problems

wonder about is that your binary is only linked against some system library, where as the one from the src-package is also linked against several ccp4 and clipper libs. Is that intended? Thanks justin -- Justin Lecher Institute for Neuroscience and Biophysics ISB3 - structural biochemistry Re

Re: [ccp4bb] ctruncate problems

m IMEAN. > > You can download a linux binary for the latest ctruncate (including the > patch) from > > ftp://ftp.ccp4.ac.uk/nds/bin/ctruncate > > Best wishes > > Norman > > Norman Stein > CCP4 > Daresbury Laboratory > > > > > > >

[ccp4bb] [OT] peroxids in Triton

Good morning everyone, does anybody know some number about to what concentration peroxids will be enriched in TritonX100 over the time? Thanks, justin -- Justin Lecher Institute for Neuroscience and Biophysics ISB3 - structural biochemistry Research Centre Juelich GmbH, 52425 Juelich,Germany

Re: [ccp4bb] polygon stand alone - updated version

ot; were fixed; in particular this version was successfully > tested at a Mac computer (in addition to linux and Windows). > > Best regards, > > Sacha Under which license did you release the software? -- Justin Lecher Institute for Neuroscience and Biophysics ISB 3 - Institute fo