[Dock-fans] 答复: Problems with Showbox
zjxu at mail.shcnc.ac.cn
Tue Dec 16 18:33:43 PST 2008
It seem that there are too many spheres in the cluster 1. In my
opinion, the number of spheres below 100 or 50 is a good choice.
For dock4, the first two lines are like this:
DOCK 3.5 receptor_spheres
cluster 1 number of spheres in cluster 35
If you have modified the .sph file, keep the format like origin.
Sometimes, a white space may cause error.
发件人: dock-fans-bounces at docking.org [mailto:dock-fans-bounces at docking.org]
代表 00159496 at ufrgs.br
发送时间: 2008年12月16日 星期二 21:05
收件人: dock-fans at docking.org
主题: [Dock-fans] Problems with Showbox
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)
fmt: read unexpected character
apparent state: unit 1 named ./selected_spheres.sph
last format: (5X,3F10.5)
lately reading sequential formatted external IO
My box.in file have this written:
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!
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