[ccp4bb] the B facot of soaked substrate

2007-11-01 Thread Jiamu Du
Dear All: I am refining a protein structure with a soaked substrate. The resolution is 2.5 A. The B factor of protein is around 40, while the B factor of the soaked substrate is as high as 80. The density looks fine. Is this structure acceptable? Or is there anyone who can give me an example of

Re: [ccp4bb] the B facot of soaked substrate

2007-11-01 Thread Jiamu Du
Dear Herman: It is due to the occupancy obviously. Previously, someone mensioned that in this resolution it is not suitable to refine the occupancy. So I think it is better for me to keep the occupancy to 1. Do you have some case for this situation in the PDB bank? Thanks. On 11/1/07, [EMAIL

Re: [ccp4bb] carving up maps (was re: pymol help)

2007-11-01 Thread Robert Esnouf
Having put the make my density look publishable (mapcover) command in BobScript, my conscience wouldn't ever let me use it as it gives a false impression of experimental maps! It is useful, though, in a couple of cases: where the map is not representing electron density but calculated from the

Re: [ccp4bb] the B facot of soaked substrate

2007-11-01 Thread Jiamu Du
Thank you all. I think I have know how to deal with this situation. Best Regards. On 11/1/07, [EMAIL PROTECTED] [EMAIL PROTECTED] wrote: Dear Jiamu, This is a matter of debate, but I prefer to publish something as close as possible to the true situation. Publishing a structure with

Re: [ccp4bb] converting structure factor files to mtz files

2007-11-01 Thread John Badger
The crystallographic model-building and display program MIFit can read mmCIF diffraction data directly and compute the map internally i.e. you don't need any other software. There is a tutorial (lesson 16) on this exact application. MIFit runs on Windows and Linux and is free to academics users.

Re: [ccp4bb] carving up maps (was re: pymol help)

2007-11-01 Thread Warren DeLano
Along those lines, one of the things you can do with PyMOL is color map density based on the color of the nearest atom (if any): Example image at: http://delsci.com/img/map_color.jpg Example script: load ref.pdb load map.xplor isomesh mesh, ref, 1.0 ramp_new ramp, ref, [0,1.5,2], [-1, -1,