[Dock-fans] DMS replacement

Christian Schudoma schudoma at mpimp-golm.mpg.de
Thu Oct 2 05:48:57 PDT 2008


Hi,

I think WriteDMS is a very nice new feature for Chimera. Does it run 
with the same default parameters as the original dms?

Also, I wonder if it would be possible to integrate WriteDMS into the 
DockPrep tool? Maybe add an option there to run surface generation and 
WriteDMS automatically when DockPrepping a molecule?

Thanks & best regards,

Christian


Eric Pettersen wrote:
> Hi all,
> The latest daily builds of Chimera now include a tool for writing 
> DMS-format files, which should allow you to forgo compiling/running 
> DMS yourself in preparation for docking.  The tool is called Write DMS 
> and is currently located in the Surface/Binding Analysis category of 
> Chimera's Tools menu, though starting with tomorrow's builds it will 
> be located in the Structure Editing category instead.
> To get a daily build of Chimera go to the UCSF Chimera Home Page 
> <http://www.cgl.ucsf.edu/chimera/> and follow the "Daily Builds" link.
>
> --Eric
>
>
>                         Eric Pettersen
>
>                         UCSF Computer Graphics Lab
>
>                         http://www.cgl.ucsf.edu
>
>
>
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