[Chimera-users] noeshow

[Elaine Meng]

Hi Randazzo,
Sorry about the slow reply, I had to dig up my old Midas manual and  
read about NOESHOW.

Currently there is nothing in Chimera that (like NOESHOW) reads  
constraints/restraints from files and displays them on structures.  We  
have discussed adding similar capabilities, but it has not been done.

Related things you can do now in Chimera are:

- measure and display distances
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/structuremeas/structuremeas.html#distances 
 >

- measure angles
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/structuremeas/structuremeas.html#angles 
 >

- rotate torsions, with automatic update of any distance measurements
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/structuremeas/structuremeas.html#adjust 
 >

- draw lines between any pair of atoms, with control over color and  
optional label of each line.  You would do that by creating a simple  
text file describing the lines and reading it in with Pseudobond Reader.
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/pbreader/pbreader.html 
 >
However, you would still have to calculate the violations yourself and  
assign colors accordingly -- not nearly as automatic and convenient as  
using NOESHOW.

Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html

On Apr 24, 2009, at 8:52 AM, Randazzo Antonio wrote:

> Hi all,
>
> I am new of chimera and I am trying to display the NOEs that I have
> used in my calculations along with the structured I have obtained.
> With my big surprise I have discovered that in a previous version of
> the program (MIDAS) this was possible (by the command NOESHOW), but it
> seems that this features is not supported in this version of the
> program. Do you have any clue in how to resolve this? Is there a
> workaround or I have to use another program? If this is the case,
> which program (sometimes I need to display an Amber restraint file or
> a Discover restraint file).
>
> Thanks in advance for your help
>