[Dock-fans] Dock 6.2 installation check failure

Woods, David M. Dr. woodsdm2 at muohio.edu
Mon Oct 27 09:21:31 PDT 2008


I'm installing Dock 6.2 for a user and after following the build instructions, I ran the "make test".  Several possible failures were reported, but after considering the KNOWN_FAILURES and differences in the tails of numbers, I still have one failure I can't resolve.

I see the following in primary_secondary_score/secondary2_comformers.mol2.dif:

1734c1734
< ########## Contact Score:          -23.
---
> ########## Contact Score:          -22.
1748c1748
<       8 O1         21.    7.   59. O.2     1  <0>        -0.
---
>       8 O1         21.    8.   58. O.2     1  <0>        -0.
1754c1754
<      14 H6         22.    9.   58. H       1  <0>         0.
---
>      14 H6         21.    7.   59. H       1  <0>         0.
1773c1773
< ########## Contact Score:          -22.
---
> ########## Contact Score:            0.
1780,1793c1780,1793
<       1 C1         23.   11.   58. C.3     1  <0>        -0.
<       2 C2         23.   10.   59. C.2     1  <0>        -0.
<       3 C3         24.   11.   61. C.2     1  <0>        -0.
<       4 C4         23.   10.   62. C.2     1  <0>        -0.
<       5 S1         22.    9.   61. S.3     1  <0>         0.
<       6 C5         22.    9.   60. C.2     1  <0>        -0.
<       7 C6         22.    8.   59. C.2     1  <0>         0.
<       8 O1         21.    8.   58. O.2     1  <0>        -0.
<       9 H1         24.   12.   58. H       1  <0>         0.
<      10 H2         24.   10.   57. H       1  <0>         0.
<      11 H3         22.   11.   58. H       1  <0>         0.
<      12 H4         24.   12.   60. H       1  <0>         0.
<      13 H5         24.   11.   63. H       1  <0>         0.
<      14 H6         21.    7.   59. H       1  <0>         0.
---
>       1 C1         22.   12.   62. C.3     1  <0>        -0.
>       2 C2         21.   11.   62. C.2     1  <0>        -0.
>       3 C3         21.   11.   60. C.2     1  <0>        -0.
>       4 C4         21.   10.   60. C.2     1  <0>        -0.
>       5 S1         20.    9.   61. S.3     1  <0>         0.
>       6 C5         20.   10.   62. C.2     1  <0>        -0.
>       7 C6         20.   10.   64. C.2     1  <0>         0.
>       8 O1         19.    9.   64. O.2     1  <0>        -0.
>       9 H1         23.   13.   62. H       1  <0>         0.
>      10 H2         21.   13.   63. H       1  <0>         0.
>      11 H3         22.   12.   63. H       1  <0>         0.
>      12 H4         22.   11.   60. H       1  <0>         0.
>      13 H5         21.    9.   59. H       1  <0>         0.
>      14 H6         20.   11.   64. H       1  <0>         0.

Do these indicate a problem with the installation, and if so, suggested steps for troubleshooting would be appreciated.

Thanks.

Dave Woods


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