[ccp4bb] The cell parameter of the 2-D crystal

Dear all, Does anyone know how to calculate the cell parameter of the 2-D protein crystal? The map of the crystal can be found in this blog: http://dingding830106.blog.163.com/blog/static/351191702013111014448546/ Thanks for your time! Best! Wei

Re: [ccp4bb] Dose anyone see this ligand before?

to build a model of either. Dale Tronrud On 7/17/2013 6:35 AM, Wei Feng wrote: Dear all, Thank you for your advices. I had tried to use MPD and pyrophosphate etc to fix the density map but all of them were too small. We guess that the molecular formula should be C8H18O2. So we search

Re: [ccp4bb] Methods to reduce the model bias and increase the SAD phase

Dear Yuan. 1. Is there any programs that could help to compare and check the heavy atom positions in shelxd solutions? Especially in cases when the solutions are not obvious. SitCOM seemed very good, is there a 32-bit distribution of this programs? Or any others have similar functions? If you

Re: [ccp4bb] How to convert file format from CNS to CCP4

Dear steffi, Can you give me a link? I did not find it in google. Thank you! Wei 在 2013-03-19 20:55:42，Stefanie Becker stefanie.bec...@uni-konstanz.de 写道： Am Dienstag, 19. März 2013 04:37 CET, Wei Feng ccp4...@hotmail.com schrieb: Hi! don't know if you already got the answer by now

[ccp4bb] How to convert file format from CNS to CCP4

Dear all, I have used CNS to calculate the experimental phase of my structure. After Heavy-atom search, Heavy-atom refinement/SAD phasing and SAD Phasing - Density Modification - Selection of Map. Some files outputted: sad_phase2.hkl sad_phase2.sdb density_modify.hkl density_modify.map

[ccp4bb] How to use SHELXE to perform phasing and density modification

Dear all, I have an original sca file with anomalous signal and a heavy atoms sites file in PDB format. PDB FILE : CRYST1 77.780 77.780 187.640 90.00 90.00 120.00 P 61 2 2 SCALE1 0.012857 0.007423 -0.00 -0.0 SCALE2 -0.00 0.014846 -0.000.0

Re: [ccp4bb] How to use SHELXE to perform phasing and density modification

of this is that your final structure will be relative to the same origin as your original PDB file. Best wishes, George On 03/15/2013 10:13 AM, Wei Feng wrote: Dear all, I have an original sca file with anomalous signal and a heavy atoms sites file in PDB format. PDB FILE : CRYST1 77.780

[ccp4bb] The number of protein-protein complex in recent years

Dear all, I want to do a statistics about the number of protein-protein complexes deposited in PDB in recent years.(1972~1992,1993...2012) I tried keywords protein-protein complex, protein complex etc. in the search of PDB but all of them are fail. Can everyone tell me how to do? Thank you very

Re: [ccp4bb] The number of protein-protein complex in recent years

2013/3/13 Wei Feng ccp4...@hotmail.com: Dear all, I want to do a statistics about the number of protein-protein complexes deposited in PDB in recent years.(1972~1992,1993...2012) I tried keywords protein-protein complex, protein complex etc. in the search of PDB but all of them are fail. Can

Re: [ccp4bb] Unit Cell of Ensemble must be orthogonal

. Best wishes, Randy Read On 17 Jan 2013, at 03:20, Wei Feng wrote: Dear all, When I used PHASER to do a molecular replacement and define ensemble via map (mtz file), the program stoped very soon. The log file showed that Unit Cell of Ensemble must be orthogonal. I tried many ways to generate

[ccp4bb] Unit Cell of Ensemble must be orthogonal

Dear all, When I used PHASER to do a molecular replacement and define ensemble via map (mtz file), the program stoped very soon. The log file showed that Unit Cell of Ensemble must be orthogonal. I tried many ways to generate the map file, but the results are the same. Can anyone help me to

Re: [ccp4bb] Fwd: Re: [ccp4bb] The information of shelxc_fa.lst

Dear professor George Sheldrick, I am so sorry to bother you again! From the shelxc_fa.lst file, we can find that the Patterson peaks will be selected only when the 'Mult' equal to 1.. shelxc_fa.lst: Patterson (* indicates vector selected for search) X Y ZHeight Mult

[ccp4bb] The patterson peaks outputted by shelxd

Dear all, Can everyone tell me the patterson peaks outputted by shelxd (see below) are calculated by which formula and software? Thank you very much! Ding wei shelxc_fa.lst: Patterson (* indicates vector selected for search) X Y ZHeight Mult Length 0. 0.

[ccp4bb] The information of shelxc_fa.lst

Dear all, When I used shelxc/d/e to locate the Se atoms in a protein, I found an output file shelxc_fa.lst. Does anyone can tell me the meaning of the indicates in shelxc_fa.lst (red word): Thanks a lot! Ding wei shelxc_fa.lst: Patterson (* indicates vector selected for search) X Y

Re: [ccp4bb] The information of shelxc_fa.lst

of the peaks, height is the peak height, mult indicates how the peaks have coalesced because they are on special positions (in Patterson space) and length is the distance of the peak from the origin, i.e. the vector length. George On 11/30/2012 09:54 AM, Wei Feng wrote: Dear all, When I used shelxc/d/e

[ccp4bb] How to exclude resolution bins

Dear all An ice ring is found in the raw image files and the resolution range is from 3.70-3.57A. I want to remove this ice ring by excluding the reolution bin. Can anyone tell me how to do? Thanks a lot ! Wei Feng

Re: [ccp4bb] How to exclude resolution bins

Inhoffenstrasse 7 38124 Braunschweig Germany Email: joern.krau...@helmholtz-hzi.de Phone: +49 (0)531 6181 7023 (office) +49 (0)531 6181 7020 (lab) ** On Thu, 22 Nov 2012, Wei Feng wrote: Dear all An ice ring is found in the raw image files