[Dock-fans] dms or sphgen error!

Terry Lang terry at cgl.ucsf.edu
Mon Nov 14 17:11:41 PST 2005


Dear Xiaolei,

Your smaller portion is still too big for sphgen. You need to select
something small enough that the number of sphere points generated by the
program is under 99,999.

Sincerely,
Terry

ÖìÏþÀÚ wrote:

>Dear sir!
>     I am a new dock user.I have questions about the dms and sphgen program. I extract a subset from my protein due to the dms's limit. I can obtain the *.ms file. But when I run ./sphgen. In the folder, I always see some files temp1.atc, temp2.sph and temp3.atc etc.My INSPH is        
>          rec1.ms
>          R
>          X
>          0.0
>          4.0
>          1.4
>          rec1.sph.
>
>The OUTPUT is 
> density type = X
> reading  rec1.ms                                                                            type   R
> # of atoms =  13465   # of surf pts =  *****
> finding spheres for   rec1.ms                                                                         
> dotlim =     0.000
> radmax =    4.000
> Minimum radius of acceptable spheres?
>  1.39999998
> output to  rec1.sph                                                                        
> error reading temp2.sph
>    0  630  2.1612  115055    0.509636  -32.849480  -24.829435  -27.205057
>
>	I can not know the error reason. 
>    Thanks!
>
>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡
> 				
>
>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡xiaolei zhu
>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡zxl102623 at 126.com
>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2005-11-10
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>

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

 





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