[ccp4bb] Lost my protein

2009-05-05 Thread yanming Zhang
Hi all, during concentrating my protein, using Amicon Ultra centrifugal filter devices, 5000g, 4C, I lost large amount of my protein (75%). I heard the same story from one of my colleagues too. It seems the membrane of the Amicon tube ate my protein. Why this happen and how to recover my prote

[ccp4bb] m-3m vs. m-3

2008-11-03 Thread yanming Zhang
itional 2-fold axis. But not fully understand the symmetry in details in this case. Your help and teaching are highly appreciated. Yanming Zhang

[ccp4bb] Change reflection file names

2008-08-07 Thread yanming Zhang
All UNIX gurus,   I need to change 300 image file names sequentially, such as: XXX_10001.img to XXX_101.img XXX_10002.img to XXX_102.img   Obviously, using UNIX 'mv' to work on 300 files is stupid. Anyone can give me a very simple UNIX shell file to finish the job quickly? Thank y

[ccp4bb] COOT ramachandran plot

2008-05-06 Thread Yanming Zhang
Hi, all, If I have a large molecule, say 2000 aa, the coot ramachandran plot will be lots of outliers. Now I want to do things one step at a time, i.e checking the outliers by residue ranges such as, 1--500, 501--1000, so on. Can COOT do this? I remember Xfit has this function. Thanks Yanming

[ccp4bb] Possible to make this movie?

2008-03-12 Thread Yanming Zhang
Hello, I want to make a movie to show the process of ligand switch. In the movie, the first ligand will gradually be replaced by the second ligand(Include the conformation change such as the bond rotation when the second is approaching). possible to make this movie? I will use Pymol+eMovie to

[ccp4bb] superimpose two maps

2008-03-03 Thread Yanming Zhang
Hello, I did the replacement soaking and it was successful. Now I want to superimpose the two maps to show (I hate to show off but I have to) the map diffrence of the ligand region to demonstrate that the replacement soaking was a success. Is there a way to superimpose the two maps? The two

[ccp4bb] real time in situ competetion crystallization(RTISCC)

2008-02-25 Thread Yanming Zhang
Dear All, I set up drops using RTISCC:1Lambda protein complex+1Lambda reservoir. But I am not sure how much another ligand(50mM) I should add into the drop. Any suggestion? Thank you very much. Yanming

[ccp4bb] His tag

2008-02-04 Thread Yanming Zhang
Hi All, Maybe, I should not have asked this question: Can anybody give me the hints (or point to the references) on the impact of His tag on crystallization experiments. In perticular: 1, With or without His tag, which one is better for crystallization? 2, If I successfully crystallized N-termi

Re: [ccp4bb] pymol help

2007-10-29 Thread Yanming Zhang
Dear all, Sorry I did not make it clear in my first email. Now my question can boil down to: IS IT POSSIBLE TO ONLY ZOOM ONE OBJECT AND KEEP ALL THE OTHER OBJECTS UN-ZOOMED IN PYMOL? thanks Yanming On Mon, 29 Oct 2007, Yanming Zhang wrote: Hi, all, I want to make a pymol figure wich

[ccp4bb] pymol help

2007-10-28 Thread Yanming Zhang
Hi, all, I want to make a pymol figure wich can show the pretty density of a ligand. But we don't want to show the detailed chemical info of the ligand. If I use a large enough sphere_scale for the ligand, the chemical info will be hidden but the density map will be disrupted. If I use a sma

Re: [ccp4bb] problems with map quality, refinement and R/Rfree

2007-10-21 Thread Yanming Zhang
Hi, Joe, 1,Try SHARP and then check the quality of the map. If good, continue, if bad, need re-examine your data. I Think SHARP is good for your case. 2, Do not give up the possibility of twinning. A lower symmetry plus a nearly perfect twin operator might mislead to a higher symmetry. Yanmin

[ccp4bb] Seeking Linux experts' adivice

2007-09-18 Thread Yanming Zhang
Hi, All, After lunching pymol, if I drag the Xterm window produced by PYMOL using mouse, my computer will suddenly freeze, the keyboard seems no longer functioning. The only thing I can do is to re-boot my Linux system. This problem makes it almost impossible for me to use PYMOL on my LINUX

Re: [ccp4bb] self-rotation interpretation, 5 minutes

2007-08-20 Thread Yanming Zhang
Hi, Thank you all the repliers who kindly offer their hands after my PREVIOUS posting message. I received around 12 messages in total and the concensus reply is: P422 POINT GROUP WITH ONLY ONE MOLECULE IN ONE A.U.(peak (90 45 180) indicates P422 with the 2-fold crystallographic symmetry alon

[ccp4bb] Structure help

2007-08-15 Thread Yanming Zhang
Hi , Please help me on this structure: Data 1.8A: cell 84.892 84.892 172.580 90 90 90 with tetrahedral index Space group: P43212 or P43, Final refinement Rfree indicates P43 is better so most likely P43(also the systematic absence indicate P43 is it) Matthew coeffient indicates: P43 3mol/a.u(2.5

Re: [ccp4bb] A babyish question on coot

2007-05-29 Thread Yanming Zhang
a lower value -- either using Extensions->Set Matrix (Refinement Weight) or in your .coot file: (set-matrix ) There's also a coot-bb, btw. JED -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] Behalf Of Yanming Zhang Sent: 29 May 2007 01:50 To: CCP4BB

[ccp4bb] A babyish question on coot

2007-05-28 Thread Yanming Zhang
Hi, I use coot almost around the clock. One thing troubles me is that: when clicking on 'real space refine zone', coot seems only care about the 'real space'(Electron density), sometimes it will bring the model to the density no matter whether the density was already claimed by other model at

[ccp4bb] .sfrm image files

2007-05-16 Thread Yanming Zhang
Hi, All, I have image files with the format of extention .sfrm. I have to re-process the dataset. But HKL2000 is unavailable in my group and mosflm seems can not handle this format. Can you tell me: Which data process program can handle .sfrm format to survive the re-processing of the data?

[ccp4bb] ccp4mg can't start

2007-05-15 Thread Yanming Zhang
Dear All, lately I have a fantacy toward ccp4mg. But either from ccp4i or typing 'ccp4mg' directly from the prompt(Linux), I got the following error message: Loading fonts.. ...DONE Starting graphics thread.. ...DONE Parsing command line.. ...DONE Redirecting output to /home/yzhang/.CCP4MG/c

Re: [ccp4bb] Very weird

2007-03-01 Thread Yanming Zhang
07 03:51:50 -0500 Von: Yanming Zhang <[EMAIL PROTECTED]> An: CCP4BB@JISCMAIL.AC.UK CC: Betreff: [ccp4bb] Very weird Dear all, I am sorry to trouble you again because I am facing a very weird situation: Three copies from Phaser are the right solutions based upon: 1, Rfree 42% R 39% 2, No pa

[ccp4bb] Very weird

2007-03-01 Thread Yanming Zhang
Dear all, I am sorry to trouble you again because I am facing a very weird situation: Three copies from Phaser are the right solutions based upon: 1, Rfree 42% R 39% 2, No packing clash 3, The packing within the 3 makes good sense 4, Density evenly distributed among the 3 copies even without N

Re: [ccp4bb] Multi-copies in one assymetric unit

2007-02-14 Thread Yanming Zhang
Dear All, After I send out the 'SOS' for my multi-copy problem, I have received many good suggestions and tips. Many thanks to all of you. Now my problem has been solved: 1, There are only 4 molecules in a.u, even the solvent containt is high, it is not uncommon for a data with low resolution

Re: [ccp4bb] Multi-copies in one assymetric unit

2007-02-13 Thread Yanming Zhang
spacegroup with fewer molecules in the asymm unit? What does the self rotation show? Yanming Zhang wrote: Dear All, Maybe this is a trivial question: My data should have 6 molecules in one assymetric unit. MR could find out 4 molecules. After this, no matter how hard I have tried, no more

[ccp4bb] Multi-copies in one assymetric unit

2007-02-13 Thread Yanming Zhang
Dear All, Maybe this is a trivial question: My data should have 6 molecules in one assymetric unit. MR could find out 4 molecules. After this, no matter how hard I have tried, no more molecules can be found. At this stage, I suppose that all other copies are dis-ordered. And go ahead to do r