[Dock-fans] question about sphgen

Terry Lang terry at cgl.ucsf.edu
Thu Oct 6 20:28:38 PDT 2005

Dear User,

          You need to calculate the surface normals when you calculate 
the molecular surface.  Without the normals, sphgen cannot calculate the 
spheres.  To do this in dms, you need to set the -n flag.


孔韧 wrote:

>Dear all;
>I'm a new user for DOCK.5.1.0.
>I have done the demo and there were no problems.
>But when I tried to dock a small molecule to a receptor of my own system, I met
>some problems.
>When I used the command "sphgen", a error occured in the OUTSPH files:
>" SPHGEN: zero normal for surface point        1
>program stops "
>What is the problem?
>How can I deal with it?
>I' waiting for your answers eagerly!
>Best whishes!
>Dock-fans mailing list
>Dock-fans at docking.org

P. Therese Lang
Kuntz and James Labs
UCSF--Chemistry and Chemical Biology
Phone: (415)476-3986


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