Another option would be the "merge molecules" option in coot (calculate -> merge molecules). In coot you would also be able to move the molecules to the same asymmetric unit if that would be necessary. However, depending on the space group the MR solutions could have different origins and with polar space groups one (or three in P1!) coordinates may be arbitrary, prohibiting any merging efforts.
The best way to go is to search for both molecules in one go. E.g. Phaser has the possibility to give two or more search models and then first search with the first model, and then with the second in the context of the solution for the first solution. I am sure other MR programs have similar options. If you wish, I could provide you with a sample command file. Best regards, Herman -----Ursprüngliche Nachricht----- Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Tim Gruene Gesendet: Mittwoch, 19. Februar 2014 10:25 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] Symmetry problem -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Monika, What program did you use for MR? I would expect the output PDB file has the correct cell and symmetry from the mtz-file you replaced against. To answer your question: you can simply concatenate the two files (e.g. with a text editor), remove the CRYST1 card and set it with pdbset: pdbset xyzin your.pdb xyzout yourpdb_with_new_sg.pdb << eof CELL yourA yourB yourC yourAlpha yourBeta yourGamma SPAC yourSpacegroup end eof Best, Tim On 02/18/2014 06:59 PM, Monika Coronado wrote: > Dear, > > Does anyone know how to merge two molecules with different symmetry? > > I will explain: > > I have done the molecular replacement using the domains of the > molecules separately, now I have to put all together, however they > have a different symmetry. > > I will appreciate any kind of help. > > > Regards, > > > > Mnika > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iD8DBQFTBHhtUxlJ7aRr7hoRApb1AJ9FwxpTIbtcIlJyuU0Rn7u1UxLHrACglchR weQEKA+/lnmIkQKtHd+nhj4= =LgoX -----END PGP SIGNATURE-----
