Re: [ccp4bb] phased MR

2008-11-04 Thread Eleanor Dodson
You can read phases into both MOLREP and Amore and search for the translation against the phased map.. It often gives good results. Eleanor Pietro Roversi wrote: Dear Ed, in the past we have successfully searched in an electron density map (computed in the whole cell) with M

Re: [ccp4bb] phased MR

2008-11-04 Thread Pete Meyer
For what it's worth, I'd try to get as much as possible out of the experimental phases before going on to phased MR. > I have SeMet MAD data to 3.6A that gives decent looking anomalous > difference peaks, looks stable in mlphare, and produces solvent > flattened maps to 2.8A in DM that look like t

Re: [ccp4bb] phased MR

2008-11-04 Thread Gerard Bricogne
Dear Tassos, I suppose that the "eternal pdb file" you refer to conforms to the finally agreed standard for the pdb, expected to be valid for the rest of time ... . This clearly shows that SHARP does keep up with the latest and most forward-looking advances in the field. With bes

Re: [ccp4bb] phased MR

2008-11-04 Thread Anastassis Perrakis
Hi - I would not use mlphare for anything marginal (to be honest not at all). Both SHARP (use eternal pdb file in top page of the gui) and the new Phaser (look at the doc for scripts for this case) can do what you want. Tassos On Nov 4, 2008, at 11:55, Thomas Edwards wrote: Dear BB, I w

Re: [ccp4bb] phased MR

2008-11-04 Thread Pietro Roversi
Dear Ed, in the past we have successfully searched in an electron density map (computed in the whole cell) with Molrep. If you have a second crystal form and you can cut the density of the monomer off, Phaser also gives very good results when searching with that electron density

[ccp4bb] phased MR

2008-11-04 Thread Thomas Edwards
Dear BB, I would like to ask for some advice on phased molecular replacement if possible. I have a MR model that has so far not proved successful with Phaser, Molrep, Amore, Beast etc. I have SeMet MAD data to 3.6A that gives decent looking anomalous difference peaks, looks stable in ml