[Dock-fans] how to sort the result mol2 file?

[CAI Qixu]

Hi,
I want to use sortDOCKout.f in legacy_accessories, and find that :
--------------------------------------------------------------------------------------------
[cqx at venus ~/legacy_accessories]$ /usr/bin/g77 -o a.out sortDOCKout.f
sortDOCKout.f: In program `sortdockout':
sortDOCKout.f:475:
   19011   FORMAT(A<k>)
                  ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:478:
   1903    FORMAT(A22,I4,A<k-27+1>)
                         ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:480:
   1905    FORMAT(X,'Enter the maximum allowed ',A<i>,' difference ',A<j>)
                                                 ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:480:
   1905    FORMAT(X,'Enter the maximum allowed ',A<i>,' difference ',A<j>)
                                                                     ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:481:
   1906    FORMAT(X,'the ',A<k>,X,A<i>,' (positive #):')
                           ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:481:
   1906    FORMAT(X,'the ',A<k>,X,A<i>,' (positive #):')
                                  ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:482:
   1907    FORMAT($,X,'by a window ',A<j>,' the ',A<k>,X,A<i>, ' (<N>/W)? ')
                                     ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:482:
   1907    FORMAT($,X,'by a window ',A<j>,' the ',A<k>,X,A<i>, ' (<N>/W)? ')
                                                  ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:482:
   1907    FORMAT($,X,'by a window ',A<j>,' the ',A<k>,X,A<i>, ' (<N>/W)? ')
                                                         ^
Variable-expression FORMAT specifier at (^) -- unsupported
sortDOCKout.f:488:
   1910    FORMAT(<nskspc>X,F8.3)
                          ^
Variable-expression FORMAT specifier at (^) -- unsupported
------------------------------------------------------------------------------------------------------
How to solve the problem?
Thank you very much!

Qixu Cai
Email: caiqixu at gmail.com
Xiamen University, Fujian, China


On Thu, Apr 9, 2009 at 2:40 PM, CAI Qixu <caiqixu at gmail.com> wrote:

> Hi, everyone.
> I used DOCK6.2 energy-score to get a result file (mol2 file) which contains
> 15000 molecules. Is there a method to sort the molecules by the grid score
> to a new mol2 file?
> Thank you very much!
>
> Qixu Cai
> Email: caiqixu at gmail.com
> Xiamen University, Fujian, China
>
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