[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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