On Fri, Oct 11, 2019 at 10:25 AM David A Case <david.case.rutgers.edu>
wrote:
> On Thu, Oct 10, 2019, Miroslav Suruzhon wrote:
>
> >It would be very helpful if antechamber could at
> >least ignore CONECT records it cannot read because it doesn't seem to
> >require them in the first place.
>
> I've created an issue in our database about this problem, but I'm not
> sure how soon things might get changed. It seems(?) that the workaround
> of just deleting CONECT records ought to help.
>
> You might also check with the OpenBabel folks to see about an option to
> not use duplicate CONECT records.
> Or, work on a script to delete them
> before sending files to antechamber.
>
This should do the work: *pdb4amber lig_babel3.pdb -o abc.pdb*
Hai
>
> ...thanks...dac
>
>
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Received on Fri Oct 11 2019 - 08:00:03 PDT
