On Fri, May 30, 2008, Scott Brozell wrote:
>
> ./ambpdb_first_protein/first.pdb.dif
> ./ambpdb/restrt.pdb.dif
> ./ambpdb_first_rna/first.pdb.dif
> ./reduce/1ubqH.pdb.dif
> ./antechamber/chemokine/1b2t.mol2.dif
> ./antechamber/chemokine/1b2t.ac.dif
Note that ambpdb is not part of AmberTools. Not sure whether the
chemokine diffs are important or not.
Ambpdb is in the middle stages of a reasonably extensive update to support
the new (version 3) pdb format. It may take a while for the test cases to get
updated, since there are still more changes to be implemented.
...dac
Received on Sun Jun 01 2008 - 06:07:59 PDT
