<forgive the cross-posting coot-bb/ccp4-bb> Can I second that please? I am possibly in a similar situation - 2.8 Angstrom structure, 6 molecules in the asymmetric unit, refining with ncs torsion restraint. It would be very useful to identify which side-chains are in different rotamers (without having to look at each and every side-chain).
Tony. --- 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] tel (office): +44 (0)1273 678349 tel (lab): +44 (0)1273 677512 On 6/20/12 10:04 AM, "Luca Pellegrini" <[email protected]> wrote: >Hello, > >Is there a way to flag up residues that have been modelled with different >side chain rotamers in two NCS-related molecules? I can use the NCS Ghost >Control tool to check individual residues but it would be useful to be >able to produce a list, so that one can zoom in on possible outliers. > >Thanks, >Luca
