Are there plans to implement STRICT NCS refinement in Phenix ?? For virus structures I am stuck with using CNS. Thanks Jon -- Dr. Jonathan M. Grimes, University Research Lecturer Division of Structural Biology Wellcome Trust Centre for Human Genetics University of Oxford Roosevelt Drive, Oxford OX3 7BN, UK Email: [email protected], Web: www.strubi.ox.ac.uk Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547
Hi Jon, phenix.refine has NCS restraints, which you can make as strong as you like by playing with corresponding weights. phenix.refine does not have NCS constraints, which is: - I realize extremely important for refinement of virus structures. - not the same as "very strict" NCS restrains (although I believe it may be very close). Implementing NCS constraints it's *not *in my to-do list.. May be Ralf can comment some more. We probably need to discuss this internally to decide who and when will do it. Pavel. On 9/14/09 7:03 AM, Jonathan Grimes wrote:
Are there plans to implement STRICT NCS refinement in Phenix ?? For virus structures I am stuck with using CNS.
Thanks Jon
Pavel Afonine wrote:
Hi Jon,
phenix.refine has NCS restraints, which you can make as strong as you like by playing with corresponding weights.
phenix.refine does not have NCS constraints, which is: - I realize extremely important for refinement of virus structures. - not the same as "very strict" NCS restrains (although I believe it may be very close).
Implementing NCS constraints it's *not *in my to-do list.. May be Ralf can comment some more. We probably need to discuss this internally to decide who and when will do it.
Pavel.
Hi Pavel, Thanks. I just wanted to "poke" someone about it....... Jon -- Dr. Jonathan M. Grimes, University Research Lecturer Division of Structural Biology Wellcome Trust Centre for Human Genetics University of Oxford Roosevelt Drive, Oxford OX3 7BN, UK Email: [email protected], Web: www.strubi.ox.ac.uk Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547
participants (2)
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Jonathan Grimes -
Pavel Afonine