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

** The opinions in this message are fictional. Any similarity to actual opinions, living or dead, is purely coincidental. ** -- Justin Lecher Institute of Complex Systems ICS-6 Structural

Re: [ccp4bb] COOT library

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

[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

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

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 Biochemistry Research Centre Juelich 52425 Juelich, Germany phone

Re: [ccp4bb] Python problem

/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 recreated. jsutin -- Justin Lecher Institute of Complex

Re: [ccp4bb] different compilers for ccp4 code

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 and Biophysics ISB 3 - Institute for structural biochemistry Research Centre Juelich GmbH, 52425 Juelich,Germany phone: +49

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: http://jiscmail.ac.uk/cgi-bin/webadmin?LIST=CCP4BB, mailto:lists...@jiscmail.ac.uk?body=info%20ccp4bb List-Subscribe: mailto:ccp4bb-subscribe-requ...@jiscmail.ac.uk List-Unsubscribe:

Re: [ccp4bb] [OT] peroxids in Triton

. 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 get the answers somehow? Justin -- Justin Lecher Institute

Re: [ccp4bb] polygon stand alone - updated 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 for structural biochemistry Research Centre Juelich GmbH, 52425

[ccp4bb] ctruncate problems

/X13089.mtz -mtzout out.mtz http://dev.gentooexperimental.org/~jlec/paste/good.log.html 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

Re: [ccp4bb] ctruncate problems

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 Research Centre Juelich GmbH

Re: [ccp4bb] ctruncate problems

) from ftp://ftp.ccp4.ac.uk/nds/bin/ctruncate Best wishes Norman Norman Stein CCP4 Daresbury Laboratory -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Justin Lecher Sent: 08 July 2009 07:57 To: CCP4BB@JISCMAIL.AC.UK

Re: [ccp4bb] structure - function

-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 Lecher Institute for Neuroscience and Biophysics ISB3 - structural

[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] 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 Neuroscience and Biophysics ISB 3

Re: [ccp4bb] updated XDS binaries available

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. -- Justin Lecher Institute for Neuroscience and Biophysics INB 2 - Molecular Biophysics II Research Centre Juelich GmbH, 52425 Juelich,Germany

Re: [ccp4bb] updated XDS binaries available

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 signature.asc Description: OpenPGP

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

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 Biophysics II Research centre Juelich GmbH, 52425 Juelich,Germany

[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 Biophysics