Hi all,
here is the proposed CML2 bugfix release.
BTW, i've added:
-Amber prep
-Mopac out
And fixed:
- Reading Sybyl partial charges are now not
overwritten by JOELib' partial charges,
so you can store these infromations now
in CML2.
All partial charges in CML2 contain now a vendor
information.
Kind release regards, J=F6rg
--=20
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:we...@in...
WWW: http://www-ra.informatik.uni-tuebingen.de
--
Never mistake motion for action.
(E. Hemingway)
Never mistake action for meaningful action.
(Hugo Kubinyi,2004)
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