Re: amber-developers: antechamber/pdb.c

From: David A. Case <>
Date: Tue, 11 Nov 2008 07:33:07 -0500

On Mon, Nov 10, 2008, Volodymyr Babin wrote:
> today morning I came across the following antechamber annoyance:
> it could not recognize CONECT cards in a file full of HETATMs.
> A quick glance over the code resulted in the attached .diff that
> works fine for me. Shall I commit this?

Looks OK to me, but someday we should really collect all the pdb reading
routines (in nab, antechamber, ptraj, etc.) into a single piece of code.
[I am *not* suggesting that Volodymyr do this now, since such a big task would
have lots of implications....]

Received on Fri Dec 05 2008 - 14:28:39 PST
Custom Search