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

Scott Brozell sbrozell at rci.rutgers.edu
Fri Apr 10 09:50:43 PDT 2009


Hi,

On Thu, 9 Apr 2009, CAI Qixu wrote:

> 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>)
...

http://gcc.gnu.org/ml/gcc-help/2003-01/msg00000.html

Other gooooogggle hits show that pgf77, sun f77, hp f77, and probably
others support Variable-expression FORMAT specifier.

Scott



More information about the Dock-fans mailing list