[ccp4bb] aligning structure and generating symetry mates

2012-10-28 Thread Appu kumar
Dear all, Please guide me on right track in weired confusion. I have model structure(available in pdb) and a structure solved by molecular replacement as a dimer . Our structure does not giving correct tetramer by symmetry mates. Strangely when i am aligning our structure on

Re: [ccp4bb] aligning structure and generating symetry mates

2012-10-28 Thread Eleanor Dodson
I think we need more information. Are the cells and space groups similar What are the transformations which fit your coordinates to the model structure? Have you submitted your coordinates to the PISA server at the EBI - that will suggest possible tetramers? Eleanor On 28 Oct 2012, at 07:31,

Re: [ccp4bb] inflluence of pH for crystallization on protein 3-D structure

2012-10-28 Thread Toufic El Arnaout
Hi Acoot, Here are some examples you can look at: PDB: 1X0I (crystal structure of bacteriorhodopsin (acid blue form) at pH 2) PDB: 1X0K (crystal structure of bacteriorhodopsin at pH 10) PDB: 2W2E (crystal structure of aquaporin at pH 3.5) PDB: 1YMG (crystal structure of aquaporin at pH 10)

Re: [ccp4bb] aligning structure and generating symetry mates

2012-10-28 Thread Eleanor Dodson
On 28 Oct 2012, at 14:07, Appu kumar wrote: transformation matrix.pptx

Re: [ccp4bb] aligning structure and generating symetry mates

2012-10-28 Thread Eleanor Dodson
Hmm - once you have transformed your co-ordinates by that matrix which is non-crystallographic they are no longer aligned in your unit cell, so you can't apply your symmetry operators to them . I don't think what you are doing is valid, but to be sure I would need to know more about the 2

Re: [ccp4bb] aligning structure and generating symetry mates

2012-10-28 Thread Edward A. Berry
Appu kumar wrote: Dear all, Please guide me on right track in weired confusion. I have model structure(available in pdb) and a structure solved by molecular replacement as a dimer . Our structure does not giving correct tetramer by symmetry mates. Strangely when i am

Re: [ccp4bb] adding some user-defined graphical objects in a PDB file (and displaying them)

2012-10-28 Thread Schubert, Carsten [JRDUS]
Hi Francois, instead of addressing the problem from the PDB side, you could take a look at the embed feature in Pymol. It allows embedding structural information into a special command script. It ties you down to PyMol, but on the other hand you don't need to worry about extending the PDB

Re: [ccp4bb] adding some user-defined graphical objects in a PDB file (and displaying them)

2012-10-28 Thread Francois Berenger
On 10/27/2012 05:32 AM, Pete Meyer wrote: Just out of curiosity, why use PDB format instead of converting PDB into a format readable by a more general 3d graphics program and combining with your cube/sphere/line segment there? I want to interact with the scene. Rotate, view, zoom, change

Re: [ccp4bb] adding some user-defined graphical objects in a PDB file (and displaying them)

2012-10-28 Thread Francois Berenger
For those interested, I think I'll go for Chimera and its support for .bild files. And that will be the end of this not so much xtal-related topic. ;) Sorry for the noise. Regards, F. On 10/29/2012 09:47 AM, Francois Berenger wrote: On 10/27/2012 05:32 AM, Pete Meyer wrote: Just out of

[ccp4bb] Mosaicity and anomalous signal

2012-10-28 Thread Vijayakumar.B
Dear Folks, I have collected 360 image anomalous data in home source and integrated using automar. These images that show the mosaicity value is 0.05. But, mosaicity value 0.073 has shown when i integrated the 1-180 images data. Why 180 image data mosaicity value is higher than 360 image? and

Re: [ccp4bb] Mosaicity and anomalous signal

2012-10-28 Thread Bosch, Juergen
180 better than 360 is because you killed your crystal. Over exposure is a common thread to solving a structure. Jürgen On Oct 28, 2012, at 10:25 PM, Vijayakumar.B wrote: Dear Folks, I have collected 360 image anomalous data in home source and integrated using automar. These images that show

Re: [ccp4bb] How to start my XDS journey after HKL2000?

2012-10-28 Thread Chang Qing
Here, I show some information about my data and input files of XDS. Wavelength (A) 1. Raster size (mm) 0.10240 (default) Raster size (mm) 0.10240 (default) Film width (mm) 209.72 (default) Film length (mm) 209.72 (default) Record length (pixels) 2048 (default) Number