> On 01/07/2014 01:22 PM, Timothy J Giese wrote:
>> antechamber -i PM3BP.U.pdb -fi pdb -o PM3BP.U.mol2 -fo mol2 -c bcc -s 2
>> -nc 0
>>
>> It produces PM3BP.U.mol2, but the residue name is left blank in the mol2
>> file.
>
> OK. Nevermind. It looks like the problem is when the residue name in the
> pdb file has only 1 character. If I change it to two characters, then
> it works fine. Sorry about that.
This still sounds like a problem: one-character residue names are
perfectly legal and very
common (e.g. A, U, G, C). So we need to remember this problem, and get it
fixed.
The Amber bugzilla site would be a good place for stuff like this, but is
horribly under-used
(at least by me....)
...thanks for the report....dave
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Received on Tue Jan 07 2014 - 12:00:02 PST
