Re: [COOT] superpose coordinates and then maps

2021-11-14 Thread Marcin Wojdyr
It was discussed last year, here is a script from Paul: https://www.jiscmail.ac.uk/cgi-bin/wa-jisc.exe?A2=COOT;d47f9b6a.2010 I got the same question, but regarding a different software, a couple times recently. Such map alignment is used for visual comparison, right? > I know how to do it in

Re: [COOT] superpose coordinates and then maps

2021-11-14 Thread Eleanor Dodson
First - are they in the same spacegroup but on different origins? If that is so it is very easy to first shift A to B (match molecule to reference, then just recalculate structure factors and redo the maps.. But if they are in different cells/spacegroups But when I tried map tools/ transform map

[COOT] superpose coordinates and then maps

2021-11-14 Thread Murpholino Peligro
Hi all I have two coordinates (A.pdb & B.pdb) along with their respective maps (A.mtz, B.mtz). I would like to superpose A with B. Can somebody explain in detail how to achieve this in coot? I know how to do it in pymol ( https://pymolwiki.org/index.php/Matrix_Copy)...then I export maps and pdbs