Re: [ccp4bb] SAD phasing

2016-12-28 Thread George Sheldrick
Dear Shijun, You can find a lot of information about these programs on the SHELX homepage, now moved to shelx.uni-goettingen.de See in particular the sections "Tutorials & talks" and "SHELX Workshops". Converting the .phs file to .mtz is not needed for looking at the map (Coot can read .phs

[ccp4bb] NF-kB inhibitors (maybe unrelated)

2016-12-28 Thread Charu Gupta
Hello All, I am studying inhibitors for the NF-kB pathway and have come across an inhibitor- BAY-11-7821 which was originally designed as a IkB phosphorylation inhibitor. It has now ben reported that it also inhibits p65 ans p50 DNA-binding but I can't find an exact mechanism for it in the availab

Re: [ccp4bb] SAD phasing

2016-12-28 Thread Kay Diederichs
Dear Shijun, you can load the .phs file into coot and see the density; you don't need a .mtz file for this specific purpose. However, e.g. buccaneer does not read the .phs file which is why you need to convert it. And "Use phi/fom instead of HL coefficients" in ccp4i. The density modification me

Re: [ccp4bb] SAD phasing

2016-12-28 Thread 张士军
Dear Kay You mean after convert .phs to .mtz ,use the .mtz file refine the initial structure model? By the way , what's the difference between this density map with the density map modified after phaser-EP density modification? Thanks a lot!!! Best Regard Shijun > -原始邮件- > 发件人: "K

Re: [ccp4bb] SAD phasing

2016-12-28 Thread Kay Diederichs
Dear Shijun, hkl2map is a very nice graphical user interface that makes it easy to use the SHELX programs; I've used it successfully around 3A. You find documentation and download information for SHELX C/D/E and hklmap in the CCP4 community wiki, at http://strucbio.biologie.uni-konstanz.de/ccp4