Search found 2 matches

by Takashi Fujii
Thu Dec 01, 2011 10:06 pm
Forum: DireX - Conformational Sampling under Low Resolution Restraints
Topic: how to treat domains as rigid bodies?
Replies: 0
Views: 737

how to treat domains as rigid bodies?

Hi Gunnar,

DireX is a nice software.
I am wondering how to treat domains as rigid bodies and only linker parts as flexible ones.
I want not to change the crystal structure as much as possible, to avoid over-fitting.
Do you have any idea to solve this by DireX?

Many thanks,

Takashi Fujii
by Takashi Fujii
Wed Sep 08, 2010 7:07 pm
Forum: DireX - Conformational Sampling under Low Resolution Restraints
Topic: Maintaining beta-sheet structures
Replies: 1
Views: 912

Maintaining beta-sheet structures

<t>Hi Gunnar,<br/> <br/> Using DireX, I am trying to fit a crystal structure into a CryoEM map.<br/> Following your instruction on your web page, I used secondary structure information as restraints.<br/> Alpha helices looks OK, but beta sheets tend to be destroyed. <br/> I don't want to destroy the...