March 2006 - phenixbb - phenix-online.org

Autobuild peptide?
by ckielkop 02 Aug '06

02 Aug '06

Hi, We have a molecular replacement RNA structure with a bound peptide. I'd like phenix autobuild the peptide, because only a portion of it is bound and we'd like an unbiased, silicon opinion about what that portion is. It's not clear to me how to proceed with this in phenix- we have a beautiful electron density map from CNS, coordinates for the RNA portion, and peptide sequence. Thanks for any guidance! -- Clara L. Kielkopf Assistant Professor Biochemistry and Molecular Biology Johns Hopkins University Rm. W8708 BSPH 615 N. Wolfe St. Baltimore, MD 21205 Ph. 443-287-4546

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Passing keyword to a Wizard
by Andrzej LYSKOWSKI 24 Mar '06

24 Mar '06

Hi, I'm getting a feedback from AutoBuild Wizard that I should set it with coarse_grid keyword (info from LAST.LOG). However, this keyword isn't present in Set Variable menu. How can set it? Regards, Andrzej -- < Andrzej Lyskowski (andrzej[dot]lyskowski[at]uni-graz[dot]at) < Chemistry Institute - Phys. Chem./Structural Biology < Heinrichstrasse 28 < A-8010 Graz, Austria < Tel.: 43 316 380 54 69 < Fax.: 34 316 380 98 50 > A designer knows he has achieved perfection > not when there is nothing left to add, > but when there is nothing left to take away. > Antoine de Saint-Exupery

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Re: [phenixbb] PHENIX installation issues
by Ralf W. Grosse-Kunstleve 14 Mar '06

14 Mar '06

> > Another thing is i installed in a user so whenever i do project it > gives permission denied . I suspect you have the following situation: drwx------ 2 rwgk cci 4096 Mar 14 10:47 phenix-1.1a I.e. when you installed phenix the "umask" was set such that "group" and/or "others" don't have read permission. Please verify my suspicion with ls -d $PHENIX If you see the "drwx------" or maybe "drwxr-x---" it is easy to fix. Use the su command to become root, then: find phenix-1.1a -exec chmod go+r {} \; find phenix-1.1a -type d -exec chmod go+x {} \; Cheers, Ralf

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PHENIX installation issues
by Peter Zwart 14 Mar '06

14 Mar '06

I see. Unfortunately, the switching between bash and csh is needed until the next release. I am not quite sure what this > Another thing is i installed in a user so whenever i do project it gives permission denied . error/problem exactly is or how it can be solved, but maybe some of my collegues have an idea. Peter Ethayathulla Abdulsamath wrote: > hi Petrus: > > yes, it got installed I replied in phenixbb. > > But problem is everytime i have to do csh then source phenix_env file. > Then again change back to bash. > > Another thing is i installed in a user so whenever i do project it > gives permission denied . > > Everytime i logged in root then do thinz IS there any sol for it >

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Re: [phenixbb] phenixbb Digest, Vol 4, Issue 5
by Ralf W. Grosse-Kunstleve 13 Mar '06

13 Mar '06

> > how to change bash setup ot csh. > > I guess you can change shell (type csh or so) in a single window for > installing, sourcing Exactly. > and running phenix. Not necessarily. This trick should work: bash prompt $ csh csh prompt % source phenix_env csh prompt % bash bash prompt $ Providing a phenix_env.sh is on our todo list. Cheers, Ralf

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Re: [phenixbb] phenixbb Digest, Vol 4, Issue 5
by Petrus H Zwart 13 Mar '06

13 Mar '06

> how to change bash setup ot csh. I guess you can change shell (type csh or so) in a single window for installing, sourcing and running phenix. > In ccp4 there is a file for everything but how to i do for Phenix ! Yes. It is a bit clumsy, I agree. However note that the release you have is still an alpha release (http://en.wikipedia.org/wiki/Development_stage), indicating that not everything is as much in place as one might like it to be. Let us know if you have any (additional) problems. HTH Peter _______________________________________________ phenixbb mailing list phenixbb(a)phenix-online.org http://www.phenix-online.org/mailman/listinfo/phenixbb

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Re: [phenixbb] phenixbb Digest, Vol 4, Issue 5
by Ethayathulla A.S 12 Mar '06

12 Mar '06

Dear peter: how to change bash setup ot csh. I understood that the program is written for csh and tcsh how do change to bash format so that it gets installed In ccp4 there is a file for everything but how to i do for Phenix ! Thanking you Ethayathulla

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Re: [phenixbb] Regarding installation
by Petrus H Zwart 10 Mar '06

10 Mar '06

Hai Ethayathulla, Have a look at the following posting: http://www.phenix-online.org/pipermail/phenixbb/2006- February/000004.html i.e., things do not work in bash, but do in csh/tcsh. HTH Peter Hi I tried to install Phenix in RED HAT 9.0 LINUX It got installed succesfully But when tried to source it gives error message bash :/ command not found :/usr/local/phenix1.1a/phenix_env line 38 unexpected end of line plz suggest Thanking you -- A.S.Ethayathulla Department of BIophysics All India Institute of Medical Sciences Ansai Nagar New Delhi-110029 India _______________________________________________ phenixbb mailing list phenixbb(a)phenix-online.org http://www.phenix-online.org/mailman/listinfo/phenixbb

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Regarding installation
by Ethayathulla A.S 10 Mar '06

10 Mar '06

Hi I tried to install Phenix in RED HAT 9.0 LINUX It got installed succesfully But when tried to source it gives error message bash :/ command not found :/usr/local/phenix1.1a/phenix_env line 38 unexpected end of line plz suggest Thanking you -- A.S.Ethayathulla Department of BIophysics All India Institute of Medical Sciences Ansai Nagar New Delhi-110029 India

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Re: [phenixbb] bug? iotbx.reflection_statistics apparent
by Ralf W. Grosse-Kunstleve 06 Mar '06

06 Mar '06

> I tried supplying the space group in the command line using the > --symmetry I think there is another bug there - the command line > symmetry does not override the (wrong) symmetry that the routine gets > from the .sca file I am afraid you are right again. I forgot to include the plumbing for the --force_symmetry option. Sorry, this is getting ugly. To use your unmerged reflection file, edit this Python script in the iotbx tree: echo `libtbx.show_dist_paths iotbx`/iotbx/scalepack/no_merge_original_index.py Replace all "force_symmetry=False" with "force_symmetry=True", then try again.

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