[Chimera-users] Surface point types in WriteDMS

[Eric Pettersen]

On Aug 11, 2011, at 10:53 AM, Ken Shimo wrote:

> Hello,
>
> When I use WriteDMS, a surface point is defined by the 7th field,  
> which should start in 'S'. In the format definition, next to it,  
> should be an 'S', for saddle, 'C', for contact, 'R', for reentrant,  
> that defines de surface type. But in Chimera's WriteDMS the surface  
> points are always set as 'C' (contact). How can I create a DMS file  
> with the correct surface types?

Hi Ken,
	Since Chimera uses MSMS surfaces, WriteDMS depends on the type MSMS  
assigns to each vertex.  The types are:

1: toric reentrant face
2: spheric reentrant face
3: contact face

WriteDMS assigns 'S', 'R', and 'C' to those types respectively.   
Unfortunately, MSMS seems to assign nothing but '3's as types for  
vertices!
	So the only solution I see for your problem is to use the original  
DMS program itself.  You can download that from http://www.cgl.ucsf.edu/Overview/software.html

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         http://www.cgl.ucsf.edu


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