Hi, I'm not sure which program you used initially for MR (or maybe you didn't use MR to being with ?), but assuming you used Phaser for MR, I would think that it should have picked up the second molecule by searching in your experimental data, provided you asked to search for more than one molecule. In case you derived your first molecule by experimental phasing, i.e. SAD, MAD, whatever, why not use this molecule to search for the second one (unless the second molecule is of course of a different nature). If indeed the second molecule is different from the first one and you have a search model for it (it sounds as if you do), you could search for it in Phaser with the first molecule already located (there are example for such cases in the phaser manual/website).
Cheers, Boaz ----- Original Message ----- From: Vandu Murugan <[email protected]> Date: Saturday, July 24, 2010 12:31 Subject: [ccp4bb] MR from fo-fc To: [email protected] > Dear all, > I have calculated a fofc map using > model_map.inp of cns1.1 and I have a > fofc.coeff file. It has following coloums as > > INDE 6 > 0 0 MAP_FOM= 1.000 > MAP_PHASE= 180.000 > MAP_SCALE= .225 MAP_COEFF= 606.623 180.000 > Presently (r and rfree are 35 and 40,), there > are some extra density > near the model, which could be a second molecule. I would > like to run a MR > using the fofc.coeff file using phaser, so that i could fix the second > molecule. What are the file conversions do i need to do? > Can any one tell > how to do this? Thanks in advance. > > yours sincerely, > Murugan > Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel Phone: 972-8-647-2220 ; Fax: 646-1710 Skype: boaz.shaanan
