[Dock-fans] HELP:"ERROR get_parameter:chemical screen intervals > 30!"(DOCK 4.0.1)

Terry Lang terry at cgl.ucsf.edu
Wed Apr 27 09:29:21 PDT 2005


Dear Zheng,

   In the chemical screen function, the distances between two chemical 
groups are stored in a binary fingerprint, which records information about 
the spatial distribution of the properties in the molecule.  The 
fingerprint architecture is specified with the "distance_begin," 
"distance_end," and "distance_interval" parameters.  The number of bins in 
the fingerprint = (distance_end - distance_begin) / distance_interval.  The 
total number of bins cannot exceed 30, since a 32-bit key is currently used 
with the terminal bits being reserved for out-of-range values.  To solve 
your problem, you need to increase the value of your distance_interval so 
that the number of bins is below 30.

Good luck,
Terry


At 06:50 PM 4/26/2005, =?gb2312?q?=EC=C7=20=CE=E4?= wrote:
>Hello,Everyone!
>
>I am a novice of DOCK 4.0.1. This is the first time I use "dock" command 
>after compiling this software in our SGI Origin300 server.
>
>When running "dock -i dock.in", I can enter the parameters interactively. 
>After I enter the scoring parameters, the process terminated and there is 
>a prompt in screen:
>
>  "ERROR get_parameter: chemical screen intervals > 30!"
>
>I don't have a clue about this problem. Any help will be appreciated!
>
>zheng canhui
>2005.4.27
>
>
>---
>***************************************
>* Zheng Canhui *
>* *
>_ * Pharmacy School * _
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P. Therese (Downing) Lang
Kuntz and James Labs
UCSF - CCB Graduate Program
Phone:  (415)476-3986
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