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[sdpd] ESPOIR 2.00 release
- To: sdpd... @egroups.com
- Subject: [sdpd] ESPOIR 2.00 release
- From: Armel Le Bail <armel... @fluo.univ-lemans.fr>
- Date: Wed, 09 Jun 1999 17:23:02 +0200
- Cc: rietveld_l... @ill.fr
- Delivered-to: listsaver-egroups-sdpd... @egroups.com
- Mailing-list: contact sdpd-owner... @egroups.com
- Reply-to: sdpd... @egroups.com
The new ESPOIR 2.0 release has passed successfully the SDPD
Round Robin sample II test (tetracycline hydrochloride) by the
molecular replacement method. It can now be considered as a
serious competitor in this field as well as in the Monte Carlo
from "scratch" field.
It is still proposed under the GNU license (source available,
business and modifications possible if the source remains open)
at : http://www.cristal.org/sdpd/espoir/
In fact, available competitors are few (PowderSolve, Endeavour,
Promet...), though many others have produced results (OCTOPUS,
GAP, DRUID, ROTSEARCH....) and ESPOIR is the only open
code on the market (FORTRAN).
Best, and have fun with it,
Armel Le Bail - Universite du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://www.cristal.org/