Re: [ccp4bb] Help me install O on ubuntu11.10

2011-12-29 Thread Mike Lawrence
Try sudo apt-get install ia32-libs lib32gfortran3 to install the required 32 bit libraries On 26/12/2011, at 9:53 PM, 王瑞 wrote: > Excuse me, could anyone can tell me how to install O on ubuntu11.10 ?Thanks a > lot ! __

Re: [ccp4bb] Help me install O on ubuntu11.10

2011-12-28 Thread Edward A. Berry
It seems some 32-bit libraries need to be installed to get recent versions of O to run on 64 bit architecture. There is a 64-bit version undergoing testing now, so you might want to just wait for it. or volunteer to be a tester. Subscribe to o-info mailing list (at the below site) to keep up with

Re: [ccp4bb] Help me install O on ubuntu11.10

2011-12-27 Thread Ed Pozharski
Did you try following these instructions: http://xray.bmc.uu.se/alwyn/O_to_Go/O_to_Go_frameset.html ? On Mon, 2011-12-26 at 18:53 +0800, 王瑞 wrote: > Excuse me, could anyone can tell me how to install O on > ubuntu11.10 ?Thanks a lot !

[ccp4bb] Help me install O on ubuntu11.10

2011-12-26 Thread 王瑞
Excuse me, could anyone can tell me how to install O on ubuntu11.10 ?Thanks a lot !

Re: [ccp4bb] help me to install voidoo on ubuntu11.10

2011-12-17 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi , I could not find error messages but only some warnings. Why do you think anything goes wrong? I recommend you repost your scientific question at the very end again with a different thread as I guess that most readers will not have made it th

[ccp4bb] help me to install voidoo on ubuntu11.10

2011-12-16 Thread 王瑞
I am sorry for a little off-topic! Could anyone tells me how to install voidoo on 32-bits ubuntu11.10 ? For its distribution kit on http://xray.bmc.uu.se/markh/usf/, I have downloaded the distribution kit and Liniux_32_binaries executables, and followed their tutorial, but something goes wrong: if

Re: [ccp4bb] help me after several refmac

2011-10-17 Thread Eleanor Dodson
This Ltest certainly doesnt look twinned. But your R factors are indictive of "mostly correct but still problems". Didnt someone suggest running Arp-Warp to rebuild the structure? This might reinterpret any dodgy bits. Eleanor On 10/14/2011 02:52 AM, 王瑞 wrote: > After L-test,the result are fol

Re: [ccp4bb] help me after several refmac

2011-10-13 Thread 王瑞
After L-test,the result are follows: TWINNING ANALYSIS: First principles calculation of potential twinning operators using code by Andrey Lebedev: First principles calculation has found 0 potential twinning operators No twinning detected $TABLE: L test for twinning: $GRAPHS: cumulative distribu

Re: [ccp4bb] help me after several refmac

2011-10-13 Thread Xiaopeng Hu
Dear Yuri, Could you give out the details? Such as how you found the twins? 2-Could have twinning? I recently just got done working on a structure that could be scaled in C 2 2 21 but turned out to really be an almost perfect P21 twin. (of course in monoclinic there are certain conditions for tw

Re: [ccp4bb] help me after several refmac

2011-10-13 Thread Pete Meyer
Similar to Tim's suggestion, but your low resolution limit may be too low (check refmac's chart of R vs resolution to confirm this). Pete 王瑞 wrote: hello everyone: Excuse me, could anyone give me some suggestions? Afetr several cycles of refmac, it give me such a result:

Re: [ccp4bb] help me after several refmac

2011-10-13 Thread Yuri Pompeu
Echoing whats been said: 1- Are you sure your crystal really is in C 2 2 21? If so How good is your data (completeness, Rmerge, etc...) 2-Could have twinning? I recently just got done working on a structure that could be scaled in C 2 2 21 but turned out to really be an almost perfect P21 twin.

Re: [ccp4bb] help me after several refmac

2011-10-13 Thread Eleanor Dodson
On 10/13/2011 12:14 PM, 王瑞 wrote: hello everyone: Excuse me, could anyone give me some suggestions? Afetr several cycles of refmac, it give me such a result: InitialFinal R factor0.2540 0.2531 R f

Re: [ccp4bb] help me after several refmac

2011-10-13 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear , - - how complete is your model compared to the sequence expected in the crystal? If it is not very complete, yet, your R-values might diverge - - Your RMS BondAngle is pretty high. Set the matrix weight manually to a lower number (0.1 or less)

Re: [ccp4bb] help me after several refmac

2011-10-13 Thread Roger Rowlett
Possibility of twinning? A simple way to check this at this point is to turn on the twin option in refmac and examine the log file. Twinning can cause you to get stuck at high R values in unaccounted for. Roger Rowlett On Oct 13, 2011 7:14 AM, "王瑞" wrote: > hello everyone: > > Excuse me, cou

[ccp4bb] help me after several refmac

2011-10-13 Thread 王瑞
hello everyone: Excuse me, could anyone give me some suggestions? Afetr several cycles of refmac, it give me such a result: InitialFinal R factor0.2540 0.2531 R free0.3499 0.3500 Rms BondLeng

Re: [ccp4bb] help me to determine ligand's b fator?

2011-10-12 Thread 王瑞
Thank you for all your advice.They are all good suggestions! 2011/10/12 王瑞 > Dear Everybody, > > I am sorry for a little off-topic. Could anyone tell me how to > determine a protein, peptide and ligand of a new pdb's b factor? I know > there are rampage and sfcheck to validate in ccp4, but I

Re: [ccp4bb] help me to determine ligand's b fator?

2011-10-12 Thread Pavel Afonine
Hello, 2011/10/12 Xiaopeng Hu > I made a simple script for this, perhaps you can edit it for your case. > Just save it as baverage.sh, then run it as ./baverage.sh your.pdb. > Here is another option: phenix.pdbtools model_statistics=true model.pdb or phenix.model_vs_data model.pdb data.hkl w

Re: [ccp4bb] help me to determine ligand's b fator?

2011-10-12 Thread Christian Roth
Hi, as Tim pointed out Rsym, I/sigma, Redundancy could not be obtained from a pdb, but you find it in the ouptut of SCALA, XSCALE, or similar scaling programs. I use Moleman2 from the Uppsala Software Factory to get the B values out of my pdb. F.e. "Bf St Type" provide B-Factors for every compon

Re: [ccp4bb] help me to determine ligand's b fator?

2011-10-12 Thread Xiaopeng Hu
I made a simple script for this, perhaps you can edit it for your case. Just save it as baverage.sh, then run it as ./baverage.sh your.pdb. #!/bin/bash echo "--" grep '^ATOM' $1|cut -b61-66|cat |awk '{sum+=$1} END { print " Protein Average B =",sum/NR;print

Re: [ccp4bb] help me to determine ligand's b fator?

2011-10-12 Thread Paul Emsley
On 12/10/11 12:53, 王瑞 wrote: > Dear Everybody, > > I am sorry for a little off-topic. Could anyone tell me how to > determine a protein, peptide and ligand of a new pdb's b factor? I > know there are rampage and sfcheck to validate in ccp4, but I only > found a overall b factor in their result. > >

Re: [ccp4bb] help me to determine ligand's b fator?

2011-10-12 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear , A PDB file is a coordinate file. The quantities you mention, Rsym, I/sigI, and Redundancy are quantities calculated from the measured data and can therefore not be determined from a PDB file. The PDB file also contains the B-factor, so in orde

[ccp4bb] help me to determine ligand's b fator?

2011-10-12 Thread 王瑞
Dear Everybody, I am sorry for a little off-topic. Could anyone tell me how to determine a protein, peptide and ligand of a new pdb's b factor? I know there are rampage and sfcheck to validate in ccp4, but I only found a overall b factor in their result. By the way, are there a software to det

Re: [ccp4bb] Help me!!

2009-10-27 Thread Gowriishankar Raju
Thank you for your replies. With Regards, Raju Gowriishankar

Re: [ccp4bb] Help me!!

2009-10-26 Thread Eleanor Dodson
An excellent reference to start with.. Eleanor James Stroud wrote: Whether probing the bulletin boards for advice or probing nature for her structural secrets, the first thing to do is to ask a good question. The best advice I can give is to be specific with your queries and do a little home

Re: [ccp4bb] Help me!!

2009-10-22 Thread Sean Seaver
Hello Raju, Welcome to crystallography! I don't have much information about predicting structures, but have put together a list of resources about protein crystallization: http://tinyurl.com/ygmbpa3 Happy reading :) Sean

Re: [ccp4bb] Help me!!

2009-10-22 Thread Flip Hoedemaeker
Or, to avoid spending $63 and then finding out you want to do something else, start here: www.ruppweb.org/Xray/101index.html Flip James Stroud wrote: Whether probing the bulletin boards for advice or probing nature for her structural secrets, the first thing to do is to ask a good question. T

Re: [ccp4bb] Help me!!

2009-10-22 Thread Karthik S
I have been there, and like most things that we want to learn the best way is to practice them. suggest joining a lab that solves structures using crystallography would be your best way to learn. there are introductory textbooks that will also give you a feel for the subject (like crystallography m

Re: [ccp4bb] Help me!!

2009-10-22 Thread James Stroud
Whether probing the bulletin boards for advice or probing nature for her structural secrets, the first thing to do is to ask a good question. The best advice I can give is to be specific with your queries and do a little homework before you venture formulate a question. A suggested starti

[ccp4bb] Help me!!

2009-10-22 Thread Gowriishankar Raju
Hi Friends, I am very new to the field of Crystallography. I want to learn, how to crystallize the biological macromolecules and how to predict the structures?. So let me instruct the basic things to learn. I am waiting for your reply. Thanks in advance. With regards, Raju Gowriishankar