Re: [phenixbb] phenix ensemble ref.

23 Mar 2017

      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