[gmx-users] editconf -mead

[Ran Friedman]

Dear Marco,

Which version?

Ran.

marcos wrote:
> Hi,
>
> editconf -mead writes a .pqr with a format "%10.5f%10.5f%10.5f" while it
> should be "%8.3f%8.3f%8.3f".
> Also the charges and radius are written in "%8.4f%8.4f" while the
> program pdb2pqr writes as "%8.4f%7.4f"
>
> I changed line 167 of pdbio.c from:
> strcpy(pdbform,"%-6s%5u %-4.4s %3.3s %c%4d    %10.5f%10.5f%10.5f%8.4f%
> 8.4f\n");
>
> to 
>
> strcpy(pdbform,"%-6s%5u %-4.4s %3.3s %c%4d    %8.3%8.3f%8.3f%8.4f%7.4f
> \n");
>
> and the .pqr is now ok. Will this change affect other programs?
>
> Thanks,
>
> Marcos Villarreal
>
>