Re: [ccp4bb] Off Topic: How to delete loops from a protein

2011-07-19 Thread James Stroud
I've found that predator is one of the best services of this sort: Ref: PROTEINS: Structure, Function, and Genetics 27:329–335 (1997) Server: http://mobyle.pasteur.fr/cgi-bin/portal.py?#forms::predator The server is slow but the service is good. James On Jul 18, 2011, at 10:47 PM,

[ccp4bb] Permissions and ownerships in ccp4 6.2.0

2011-07-19 Thread Weiergräber , Oliver H .
Hello, version 6.2.0 of ccp4 has strange permissions set to several setup/configuration scripts which are read while sourcing ccp4.setup. For a long time, ccp4 packages have been distributed with some arbitrary file and directory ownerships which users are obviously supposed to edit to meet

[ccp4bb] phenix.phaser params.eff labin problems

2011-07-19 Thread G P
Dear all, I am now writing a script for phenix.phaser. In the input file params.eff there is a keyword labin which corresponds to the labels inside input mtz files. The important columns in my ccp4 mtz file are FP, SIGFP. I edit the line of labin as: labin F=FP SIGF=SIGFP when running the

Re: [ccp4bb] Permissions and ownerships in ccp4 6.2.0

2011-07-19 Thread Andreas Förster
Dear Oliver and others, an alternative way of installing system-wide third party software is with a non-root account that is in the same group as all the users. Use that account to install software centrally and initialize in each user's .bashrc. (Root is used only for administrative tasks

Re: [ccp4bb] Permissions and ownerships in ccp4 6.2.0

2011-07-19 Thread Charles Ballard
We are working to relax the permissions on the files to rwx r-x r-x Charles Ballard CCP4 On 19 Jul 2011, at 11:25, Weiergräber, Oliver H. wrote: Hello, version 6.2.0 of ccp4 has strange permissions set to several setup/configuration scripts which are read while sourcing ccp4.setup. For

Re: [ccp4bb] CCP4BB Digest - 17 Jul 2011 to 18 Jul 2011 (#2011-199)

2011-07-19 Thread Aurélie Martinez NovAliX
Could you please unsuscribe me from this mailing list? My e-mail address is : a...@novalix-pharma.com Thanks, Regards, Aurélie Martinez. - Message d'origine - De: CCP4BB automatic digest system lists...@jiscmail.ac.uk Date: Tue, 19 Jul 2011 00:04:10 +0100 Sujet:

[ccp4bb] arp/warp error

2011-07-19 Thread Seema Nath
I've recently installed arp/warp(7.1) in ccp4 6.2 in linux i686,the problem is whenever I'm trying to run arp/warp navigator or any other programs under arp/warp it gives the error cannot get environment variable for warpbin Please help. Thanks in advance. Seema Nath

Re: [ccp4bb] Permissions and ownerships in ccp4 6.2.0

2011-07-19 Thread Chris Richardson
While we're on the subject of issues with the ccp4 6.20 distribution, I've had a problem with the Mac OS X package installer. It seems to be missing the ccp4i executable. Launching the application gives the following error: 19/07/2011 13:04:02 [0x0-0x269269].com.yourcompany.ccp4[17160]

Re: [ccp4bb] Permissions and ownerships in ccp4 6.2.0

2011-07-19 Thread Clemens Vonrhein
Dear all, ideally, permissions should be either rw-r--r-- (0644) or (for files that need to be executed as well as directories) rwxr-xr-x (0755) One quick fix: find . -type d -exec chmod -v 0755 {} ; find . -type f -exec chmod -v 0755 {} ; but that last command makes every single

Re: [ccp4bb] arp/warp error

2011-07-19 Thread Saul Hazledine
Hello Seema, I believe this error occurs because ARP/wARP has not been setup within the startup file for the shell that you are using. For instance, if you use bash (the default under most Linux distributions) you need to add the following line to the .bashrc file in your home directory:

Re: [ccp4bb] Permissions and ownerships in ccp4 6.2.0

2011-07-19 Thread Dirk Kostrewa
Dear all, or use a modified version of Clemens's commands for that: find . -perm 700 -exec chmod 755 {} \; find . -perm 750 -exec chmod 755 {} \; find . -perm 600 -exec chmod 644 {} \; find . -perm 640 -exec chmod 644 {} \; Best regards, Dirk. Am 19.07.11 14:34, schrieb Clemens Vonrhein:

[ccp4bb] CCP4 releases

2011-07-19 Thread Ed Pozharski
Just a general curiosity - did I miss the release announcement for the 6.2.0 version on the bb or is it the CCP4 policy not to make such announcements? Perhaps the idea is to prevent people rushing to download the latest release and crushing the server :) -- I'd jump in myself, if I weren't so

Re: [ccp4bb] Bypassing phase separation for nice crystals.

2011-07-19 Thread F. Timur Senguen
Thanks for all the suggestions. I forgot to mention that I had tried microseeding and it was partially successful. I am trying this while also pursuing other venues. At Florian's suggestion I have set up a free interface diffusion method and it looks very promising. I have a few free floating

Re: [ccp4bb] off-topic: LCD monitors

2011-07-19 Thread David Schuller
You don't mention many other details about your stereo setup, so I will asssume you have/plan to get a nVidia 3D Vision setup. If those are the only 3 choices, I would cross off the Samsung. It is a year older technology, with lower resolution and significant crosstalk. The ASUS and the

Re: [ccp4bb] Permissions and ownerships in ccp4 6.2.0

2011-07-19 Thread Miller, Mitchell D.
Another option is to use the recursive feature of chmod to change the permissions on the files. E.g. chmod -R a+rX . which will recursively add read for all users to files (and directories) and will also add execute if the file is a directory or if it already has at least one execute bit

Re: [ccp4bb] off-topic: LCD monitors

2011-07-19 Thread Colbert, Christopher
My $0.02. My old lab had the Samsung and an Acer. The Samsung was small and worked well in a dedicated graphics room. The Acer died just after the warrantee period. I now have a 23in Zalman attached to my macbook pro. Outside of stereo viewing the text is alright, but not as clear as my

[ccp4bb] Poor proline electron density

2011-07-19 Thread Dolphin Huang
Dear all, Recently I crystallized and solved the structure of a protein using molecular replacement. The crystal diffracts to 1.8A and has the R free of 0.21. During refmac and phenix refinement, I found that the N-terminal (~25 amino acids) electron density wasn't quite good, especially a

Re: [ccp4bb] Permissions and ownerships in ccp4 6.2.0

2011-07-19 Thread Pete Meyer
but that last command makes every single file executable, which is rather ugly (but doing a selective chmod 0755/0644 is a bit tricky I was wondering about having every file executable in the source distributions a while back, and came up with an quick way to make it less ugly (inline due to

Re: [ccp4bb] Data from old tapes

2011-07-19 Thread VAN RAAIJ , MARK JOHAN
did you try looking if there is a company offering data recovery services from these kind of tapes? if there is, there may not be a need to buy a tape drive yourself.Mark Quoting Min, Xiaoshan: Dear CCP4 community, We have a few datasets that reside in tapes (Sony QG-112M 8 mm tape and

Re: [ccp4bb] off-topic: LCD monitors

2011-07-19 Thread Guenter Fritz
Dear Padmaja, I have use Samsung 2233RZ for stereo running on Linux and Windows systems. Perfomance is great. HTH Guenter Pardon the off-topic query, but I would like to get some feedback about any personal preference for 3D LCD monitors. I am trying to decide between the following 3

Re: [ccp4bb] Off Topic: How to delete loops from a protein/homology modeling

2011-07-19 Thread Paul Kraft
Hi Obayed, even though there is 20% sequence identity you may be able to get a very good homology model, especially if there is more than one protein structure in the PDB with 20% homology. Then you can overlap the pdbs and find out what structurally needs to be preserved as opposed to what is

Re: [ccp4bb] Off Topic: How to delete loops from a protein/homology modeling

2011-07-19 Thread James Stroud
Homer is one of the best services for homology modeling: http://protein.cribi.unipd.it/Homer/ James On Jul 19, 2011, at 2:06 PM, Paul Kraft wrote: Hi Obayed, even though there is 20% sequence identity you may be able to get a very good homology model, especially if there is more than