Re: [phenixbb] phenix ensemble ref.

Hi Tommy, sure it would be good to do… It’s just not implemented at present. Pavel

On Mar 23, 2017, at 14:40, Kajander, Tommi A wrote:

Dear Pavel, Thanks for the answer - i might try that. Wouldnt it be good though to be able to sample the conformations only for one domain that has partly weak density? best, Tommi

-------- Alkuperäinen viesti -------- Lähettäjä: Pavel Afonine Päivämäärä: 23.03.2017 23.06 (GMT+02:00) Saaja: "Kajander, Tommi A" Kopio: [email protected] Aihe: Re: [phenixbb] phenix ensemble ref.

Hi Tommi,

not really... But a work-around may be to restraint the domain that you don’t want to more to its original position using reference harmonic restraints.

Pavel

...

On Mar 21, 2017, at 05:46, Kajander, Tommi A wrote:

Hi, is it possible to do ensemble refinement in phenix with just one domain? (and e.g. fix the other) Doens seem so?

Thanks, Tommi