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? I'm thankful for any help, -- Helder Ken Shimo BSc in Biomedical Informatics (University of São Paulo - Brazil) MSc candidate in Bioinformatics (University of São Paulo - Brazil) -- "When I get sad, I stop being sad and be awesome instead." (Neil Patrick Harris as Barney Stinson)
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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Ken Shimo