Re: [ccp4bb] Fwd: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5

2014-03-03 Thread wu donghui
y take a look into config.log to read the error message > why your gcc-compiler does not work? You should start at the end of the > log file and scroll backwards until you find the error message. > > Best, > Tim > > On 03/03/2014 03:51 PM, wu donghui wrote: > > ---

[ccp4bb] Fwd: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5

2014-03-03 Thread wu donghui
-- Forwarded message -- From: wu donghui Date: Mon, Mar 3, 2014 at 10:44 PM Subject: Re: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5 To: Marcin Wojdyr Dear Marcin, The reason that I want to build from source is that running ipmosflm can not be done from

[ccp4bb] Fwd: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5

2014-03-03 Thread wu donghui
-- Forwarded message -- From: wu donghui Date: Mon, Mar 3, 2014 at 7:07 PM Subject: Re: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5 To: Marcin Wojdyr Dear Marcin, Yes, I set CC=gcc-4.2.1 in cj.rc file or type in command line. As is shown, it can

[ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5

2014-03-02 Thread wu donghui
Dear all, Recently, I download CCP4-6.4.0 source code from http://www.ccp4.ac.uk/download/#os=mac. Following the instruction, tcltk84, qt4, boost, python, cmake, zlib, libpng, openssl were built successfully. Also ./build bzr, and ./update work fine. gcc version in my Mac OS X 10.8.5 is as below

[ccp4bb] Off-topic: protein solubility prediction based on sequence

2012-11-05 Thread wu donghui
Dear all, I want to know if there is any programe or software which is reliable in your experience to predict protein solubility when expressed in E coli. Thanks for any comment or input. Best regards, Donghui

[ccp4bb] Off topic about program for multiple protein sequence alignment

2012-05-14 Thread wu donghui
Dear all, I want to know your suggestions about current protein sequence alignment programs. It seems that different programs give different alignment results such as from analysis of Clustal W and MULTALIN. Thanks for any input or comments. Best regards, Donghui

[ccp4bb] A script is needed to renumber image

2010-12-09 Thread wu donghui
Dear all, I need a script to renumber my image. My initial image number ranges from *_1081.img to *_1440.img. There are 360 images in total. I want to renumber these images with the ranges from *_361.img to *_720.img, that means every initial image-720, but I don't know how to do it. Below is my s

Re: [ccp4bb] How to use XDS programme to process data collected at Q315r detector

2010-12-08 Thread wu donghui
luck, > Pierre > > > -Original Message- > From: CCP4 bulletin board on behalf of wu donghui > Sent: Wed 12/8/2010 4:40 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] How to use XDS programme to process data collected at > Q315r detector > > Marian

Re: [ccp4bb] How to use XDS programme to process data collected at Q315r detector

2010-12-08 Thread wu donghui
B-card in XDS.INP and delete all entries > before > DEFPIX > > You find an example of what I am talking about at the XDS wiki at > > http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Tutorial(First_Steps) > > Maybe this helps, > Tim > > On Wed, Dec 08,

Re: [ccp4bb] How to use XDS programme to process data collected at Q315r detector

2010-12-08 Thread wu donghui
ed, the number > of pixels is 6144 and the pixel size is 0.0513. In your case, the file > header tells you that you have binned data, with 3072 x 3072 pixels and a > pixel size of 0.10259, and this is the information you need to give XDS. > > Yours, > > Marian Szebenyi > Ma

Re: [ccp4bb] How to use XDS programme to process data collected at Q315r detector

2010-12-08 Thread wu donghui
ui On Wed, Dec 8, 2010 at 11:03 AM, wu donghui wrote: > Dear all, > > Recently I collected several data sets at 13B1 Taiwan beamline with Q315r > detector. It's no problem to index these datasets using mosflm, but Rms > residual and weighted residual is high. Here I wa

[ccp4bb] How to use XDS programme to process data collected at Q315r detector

2010-12-07 Thread wu donghui
Dear all, Recently I collected several data sets at 13B1 Taiwan beamline with Q315r detector. It's no problem to index these datasets using mosflm, but Rms residual and weighted residual is high. Here I want to try XDS to play my data. I downloaded a template example as below. !**

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-09-01 Thread wu donghui
It does not look like protein crystal and IZIT staining is not reliable in determining protein or other. Mostly it is like detergent or PEG crystal or quasi-crystal. Good luck Wu 2010/8/31 qiangm zhang > Hi all, > > I got a crystal of one membrane protein (~60kD) from Na/K phosphate > co

[ccp4bb] bug report of SHARP 2.6.0 Sushi 3.8.0

2010-05-29 Thread wu donghui
Hi ccp4ers, I found a problem when I used SHARP 2.6.0 Sushi 3.8.0 to search new heavy atom sites from 2 identified sites from SnB. Sharp can output new identified site lists however with all new identified sites set distance at zero with the 2 sites and strangely the 2 sites all output as G0 site.

Re: [ccp4bb] About seeding in microbatch under oil crystallization

2010-05-19 Thread wu donghui
Hungerford, Berkshire, RG177HD, UK > > Directors: Peter Baldock, Patrick Shaw Stewart > > http://www.douglas.co.uk/ > > Tel: 44 (0) 148-864-9090 US toll-free 1-877-225-2034 > > Regd. England 2177994, VAT Reg. GB 480 7371 36 > > > > *From:* CCP

[ccp4bb] About seeding in microbatch under oil crystallization

2010-05-19 Thread wu donghui
Hi ccp4bbers, I want to know if anyone has any experience about seeding (streak seeding or microseeding) in microbatch under oil crystallization. I wonder if the oil might block or wipe away the seeds if cat whisker is used for streak seeding. Thank you for your input ahead. Best regards, Donghu

Re: [ccp4bb] Help with MR in P21

2010-01-27 Thread wu donghui
Two cents are added here. First, try P2 as somethimes systematic absence along b axis is misleading due to weak diffraction or pseduo translation. Second, try P1. Good luck, Donghui On Tue, Jan 26, 2010 at 1:50 AM, Michele Lunelli wrote: > Dear all, > > I am trying to solve a structure at 2.

Re: [ccp4bb] How to model apo protein structure from solved ligand bound high resolution structure?

2009-08-09 Thread wu donghui
region moves upon ligand binding. Any recommendation for any program which can do this task well. Thanks ahead. Donghui On Sun, Aug 9, 2009 at 8:37 PM, wu donghui wrote: > Dear CCP4ers, > Recently we have solved two structures from E.coli in high resolution, > which have bound two

[ccp4bb] How to model apo protein structure from solved ligand bound high resolution structure?

2009-08-09 Thread wu donghui
Dear CCP4ers, Recently we have solved two structures from E.coli in high resolution, which have bound two different ligands tightly already. Here I want to know if there is any program which can let us model the structure of our apo proteins confidently. Thanks ahead for any comment and input. Reg

Re: [ccp4bb] Question about Phoenix crystallization robot

2008-04-25 Thread wu donghui
Diana, We already got a new Art Robbins Phoenix crystallization robot recently and very friendly as time consuming per plate is concerned. Theoretically your strategy of aspirating one sample enough and dispensing into several 96 well plate is feasible. However it should depend on the protocol se

Re: [ccp4bb] Optimization of needle crystals?

2008-04-17 Thread wu donghui
You might have to test if it is salt/detergent or protein crystal first. If it is really protein crystal, never give up and for needle crystal, generally it is difficult to optimze, however in most cases, the diffraction is well enough. If it is protein crystal, as some researcher has mentioned, fi

Re: [ccp4bb] protein expression

2008-03-04 Thread wu donghui
Hi Chen, In this case, it seems that linker region is of great importance for the proper folding of the two linked domains. I have not much experience in linker region design, generally use (GS)5-10 times. However it depends on individual case. Anyone who has successful experience in linker region

Re: [ccp4bb] Off topic: ask about cryoprotectant selection using lithium sulfate as precipitant for crystal growth

2008-02-27 Thread wu donghui
> > Hi Donghui, > > Have you tried a higher concentration of Lithium Sulfate? Try a > saturated (~3M) stock and make sure your crystals is in it for less > than 20 seconds. I've had a similar crystal condition in the past and > 2 M Li2SO4 didn't cryoprotect. > > HTH

Re: [ccp4bb] Off topic: ask about cryoprotectant selection using lithium sulfate as precipitant for crystal growth

2008-02-26 Thread wu donghui
s have given problems. > > -Lokesh > > On Tue, Feb 26, 2008 at 9:30 PM, wu donghui <[EMAIL PROTECTED]> wrote: > > > Dear all, > > > > Recently, I got a crystallization condition as 0.1 M Bis tris ph 6.5, > > 1.3M lithium sulfate, 0.1M NaCl, the shape of crystals

[ccp4bb] Off topic: ask about cryoprotectant selection using lithium sulfate as precipitant for crystal growth

2008-02-26 Thread wu donghui
Dear all, Recently, I got a crystallization condition as 0.1 M Bis tris ph 6.5, 1.3Mlithium sulfate, 0.1M NaCl, the shape of crystals is needle cluster, very difficult to grow bigger, microseeding does not work, then I tried macroseeding, and found crystal can grow bigger and rod like. However as

[ccp4bb] Why there is no C21 space group in crystal system

2007-09-11 Thread wu donghui
Dear all, I just get into touch with x-ray crystallography, and I made a "big" discovery that there is no C21 space group in monoclinic system, which system only contains P2, P21 and C2 groups. Even in the entire 65 chiral space group, there is no space for this group. I made an assumption that i