Re: [AMBER-Developers] antechamber default residue name

From: <>
Date: Tue, 7 Jan 2014 14:36:57 -0500 (EST)

> 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

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

AMBER-Developers mailing list
Received on Tue Jan 07 2014 - 12:00:02 PST
Custom Search