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!
--Eric