[ccp4bb] how to run shelx C/D/E using CCP4 GUI on windows

2017-05-08 Thread chen c
Hi everyone, Can anybody tell how to run shelx C/D/E within CCP4 GUI on windows system? Moreover, since shelx C/D/E within CCP4 using mtz file (structure factor) instead of sca file (intensity), would this matters in tough conditions? Thank you! Best regards Chen -- Cheng Chen, Ph.D.

[ccp4bb] seeking help about running SCALEPACK2mtz

2014-06-26 Thread chen c
Dear CCP4BBers: I'e got a problem about data processing when running SCALEPACK2mtz. Hope you can give me some advice on that. Here's my problem: I have an .sca file processed by HKL2000 about 4 years ago, I just ran the Scalepack2mtz program in order to transform it into .mtz file. However, the

Re: [ccp4bb] Anisotropic diffraction

2012-04-27 Thread chen c
Birtley and Curry used a novel optimization method, in their paper Crystallization of foot-and-mouth disease virus 3C protease: surface mutagenesis and a novel crystal-optimization strategy, which might be inspiring for you. 在 2012年4月28日 上午3:21,David Schuller dj...@cornell.edu 写道: Anisotropic

Re: [ccp4bb] Server or software for B factor analysis

2012-02-22 Thread chen c
Why not just use PROCHECK program? 在 2012年2月22日 下午6:24,Thomas Holder thomas.hol...@tuebingen.mpg.de 写道: Hi Dialing, if you know some python you can use PyMOL. # get C-alpha b-factors as list from pymol import cmd, stored stored.bfactors = [] cmd.iterate('name CA',

Re: [ccp4bb] Off topic: Beryllium chloride

2011-10-04 Thread chen c
Beryllium chloride is very toxic. More care is needed when preparing it. 在 2011年10月4日 上午7:35,Peter Hsu hsuu...@u.washington.edu 写道: Sorry for the very off topic and dumb question, but does anyone know if BeCl2 needs to be prepared fresh for use (making BeF3) or can it be stored as a

[ccp4bb] Problems with adding ncs matrixs in PHENIX

2010-12-02 Thread chen c
I am working on a data set of an T=4 icosahedron protein crystal, employing molecular replacement methods. I've consulted a professor, he told me that my crystal is in fact isomorphous to the model so that there is no need for MR. So I figured such command lines: phenix.refine output.mtz