[Dock-fans] a problem about sphen

Scott Brozell sbrozell at scripps.edu
Wed Nov 7 09:28:54 PST 2007


Hi,

On Wed, 7 Nov 2007, [gb2312] ¹¾§jinger.Lu wrote:

>  Hi, dcock-fans, I met a problem when a run sphgen, and I have no idea how it happened , I email here to ask for help, and the following is the output message :
> [jfpei at sunway 2_site]$ ../../bin/sphgen 
> forrtl: severe (64): input conversion error, unit 2, file /gdata2/jfpei/lujing/docknew/dock6_mpich/1G3J/2_site/temp2.sph
> Image              PC        Routine            Line        Source             
> sphgen             08095B98  Unknown               Unknown  Unknown
...

This is likely due to generating more than 99999 spheres.
The solution recommended in the tutorial is to divide and conquer
the receptor:
see step 2 of
http://dock.compbio.ucsf.edu/DOCK_6/tutorials/sphere_generation/generating_spheres.htm
http://blur.compbio.ucsf.edu/pipermail/dock-fans/2006-December/000813.html
and for another option:
http://blur.compbio.ucsf.edu/pipermail/dock-fans/2007-October/001260.html

Scott





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