<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: [log in to unmask]
tel (office): +44 (0)1273 678349
tel (lab): +44 (0)1273 677512
On 6/20/12 10:04 AM, "Luca Pellegrini" <[log in to unmask]> 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
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