On Tue, Jul 27, 2010, Andreas Goetz wrote:
>
> Using antechamber with the -rn flag does the trick. However, the manual
> states that the default residue name is MOL if it is not present in the
> input file. I didn't test this with another pdb but either this is a bug
> or a wrong statement in the manual which should be fixed.
I guess the manual is wrong, or being wrongly interpreted. Probably you
are the first person to try to make a mol2 file with a blank residue
field in the input pdb file.
Try making a prepin file and see what happens. The mol2 capability was added
much later, and it could be that the option to handle a blank residue name
was overlooked.
....dac
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Received on Wed Jul 28 2010 - 05:00:03 PDT
