[Dock-fans] help!

dengguo wei dgwei at mdl.ipc.pku.edu.cn
Mon Nov 7 06:29:04 PST 2005


hi:

  I am a new user of DOCK5.0. I meet a problem that i don't know the reason.
I fllowed the mannual of DOCK5.2.0, and just changed the pdb(1FJS.pdb) in the mannual to 
the pdb of mine, but when i came to run sphgen simply by typing ¡°sphgen¡± in the unix shell, the 
program began to run, and half an hour later, error occure"
    sphgen
#####
fmt: read unexpected character
apparent state: unit 2 named temp2.sph
last format: (2I5,F8.4,I8,4F12.6)
lately reading sequential formatted external IO
Aborted
  ###

 There is some imformation in the OUTSPH file
####
 density type = X
 reading  1HS6_DHET.ms                                                                       type   R
 # of atoms =   4876   # of surf pts =  *****
 finding spheres for   1HS6_DHET.ms                                                                    
 dotlim =     0.000
 radmax =    4.000
 Minimum radius of acceptable spheres?
  1.39999998
 output to  1HS6_DHET.sph                                                                   
 error reading temp2.sph
    0   70  1.7940  100333    0.204898   32.794994   42.519810   86.566956
####

There are some stange in the temp2.sph, such as

99975  472  1.4129  100332    0.458686   32.858223   43.209953   86.896088
99982  472  1.4001  101073    0.180901   31.778866   43.969215   86.324226
99984  472  1.7940  100333    0.204898   32.794994   42.519810   86.566956
*****  473  1.3999  100440    0.060653   39.895714   44.685001   89.402756
*****  473  1.4014  101374    0.015855   37.601055   44.066299   92.340057
*****  473  1.4960  101349    0.485863   38.062412   44.551533   92.240059
*****  473  1.5897  100512    0.256026   39.676300   44.985138   90.693649

why did the "***" appear?

 
  I have run it several times, but the error is the same.
I wonder if some friends would give me a help?

 Thank you very much!




                          dgwei

           
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