Re: amber-developers: heads up on ambpdb in amber11

From: Herr Doktor Sonnenberg <>
Date: Fri, 23 May 2008 00:57:35 -0400


Remind me about this on Tuesday so that we can try out the new version.


---------- Forwarded message ----------
From: David A. Case <>
Date: 2008/5/18
Subject: amber-developers: heads up on ambpdb in amber11

I have updated the amber11 CVS to modify ambpdb.f. By default, it puts out
files that should be closer to the new, "remediated" wwPDB format. This
actually makes these files use atom names *much* closer to those used
internally by Amber. This is actually a big win for our codes.

However, some programs expecting pdb files may not read the old formats, so
you can turn off this behavior with the -noremediate switch, which gives the
behavior in Amber10.

Since it's only been tested a bit, please be alert for problems with the new


Truth often hides behind the obvious. Don't be afraid to seek it out.
Received on Sun May 25 2008 - 06:07:43 PDT
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