Re: amber-developers: antechamber pdb format

From: David A. Case <>
Date: Thu, 29 Mar 2007 15:52:56 -0700

On Thu, Mar 29, 2007, Scott Brozell wrote:
> Why does antechamber not obey the pdb format ?
> For example, it puts the atom name into column 17; see below.

Patches are welcome. You should always cc complaints about antechamber
to Junmei (, since I don't think Junmei reads the actual

Also, since (in principle) antechamber is being merged into gleap, so we may
eventually have *one* pdb-writing routine, and hence only one place to fix
problems like this.

But for now, just fix up the antechamber source code. We also probably need
to think about adding a REM card giving the pdb format, since pdbformat 2.3
differs from format 3 in this regard.

> Why does antechamber alter atom names ?
> When will there be an option to prevent name mangling ?

Examples? Where does antechamber alter atom names?

Received on Sun Apr 01 2007 - 06:07:32 PDT
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