Hi Pavel, Sorry… the current ‘triumvirate’ is, in no particular order:
CCP4, Phenix and Buster (Global Phasing). Any suggestions would indeed be useful. Many thanks, Antony. - - - - - - - - - - - - - - - - - - Dr Antony W Oliver Senior Research Fellow CR-UK DNA Repair Enzymes Group Genome Damage and Stability Centre Science Park Road University of Sussex Falmer, Brighton, BN1 9RQ - - - - - - - - - - - - - - - - - - email: [email protected]<mailto:[email protected]> tel (office): +44 (0)1273 678349 tel (lab): +44 (0)1273 677512 http://www.sussex.ac.uk/lifesci/oliverlab http://tinyurl.com/aw-oliver - - - - - - - - - - - - - - - - - - On 18 Jun 2014, at 17:13, Pavel Afonine <[email protected]<mailto:[email protected]>> wrote: Hi Antony, Apologies for the cross-posting, but I *do* routinely use programs from all three software packages. I find myself refining a relatively low resolution structure (3.5 Angstrom) - with 8 molecules in the asymmetric unit. Is there a *simple* automated way to place “optimal-fit to electron density" side-chain rotamers into my model? Preferably in an NCS-independant manner? naively assuming that one of the "three software packages" that you did not mention by name is Phenix: yes, you can do it in a number of different ways. Let me know if interested and I will list all options. Pavel
