[Dock-fans] Problems with Showbox

00159496 at ufrgs.br 00159496 at ufrgs.br
Tue Dec 16 05:05:08 PST 2008



Hi,
I'm having some problems with showbox:

showbox < box.in
automatically construct box to enclose spheres [Y/N]?
extra margin to also be enclosed (angstroms)?
   (this will be added in all 6 directions)
sphere file-
cluster number-
fmt: read unexpected character
apparent state: unit 1 named ./selected_spheres.sph
last format: (5X,3F10.5)
lately reading sequential formatted external IO
Abortado

   My box.in file have this written:

   Y
5
./selected_spheres.sph
1
selected_cluster_box.pdb

   And the selected_spheres.sph has this headline:

   DOCK spheres within 3.0 ang of ligands
cluster     1   number of spheres in cluster 16592

   What should I do to run showbox?

   I'm just doing the tutorial, but I want to know how to fix this in  
case I get this error again with my protein.

   Thank you very much!

   Carla


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