Re: [ccp4bb] SAXS EM comparison

2010-07-26 Thread Andreas Förster
Thanks to all (Christoph Best, Kushol Gupta, Alexander Shkumatov, David J. Scott, Ruben Martinez, and Stephen Prince) who replied to my request concerning the calculation of theoretical SAXS scattering data from EM reconstructions. I'm in the processing of testing the suggested solutions and w

Re: [ccp4bb] SAXS EM comparison

2010-07-23 Thread Stephen Prince
If you used EMAN on single particles (http://blake.bcm.tmc.edu/eman/) proc3d yourmap.mrc dummymap.mrc apix=?.?? calcsf=sf.dat sf.dat gives the F**2/s distribution for the map - with max=0.0 I think so you will need to scale. Steve. Quoting Andreas Förster : Dear all, the other day I obtai

Re: [ccp4bb] SAXS EM comparison

2010-07-23 Thread Christoph Best
Hello- > On Fri, 23 Jul 2010 11:54:43 +0100, Andreas Förster > said: > Dear all, the other day I obtained SAXS data from which a > low-resolution structural model was calculated. The model is > simpler/less complex than one of the same protein that we obtained > with cr

Re: [ccp4bb] SAXS EM comparison

2010-07-23 Thread Kushol Gupta
Hi Andreas, this is the way I do it: I use the program SITUS to convert the volume (in some SITUS-friendly EM format) to a pdb bead model (vol2pdb). Then I'll input that PDB into CRYSOL to generate the theoretical scatter. I vaguely recall that Chimera has a SAXS function (not sure), but that