From chemistry-request@ccl.net Fri Sep 24 13:53:03 2004 Received: from leitl.org (leitl.org [217.172.178.65]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i8OIr2io002267 for ; Fri, 24 Sep 2004 13:53:02 -0500 Received: by leitl.org (Postfix, from userid 500) id B09283A84DB; Fri, 24 Sep 2004 21:03:33 +0200 (CEST) Date: Fri, 24 Sep 2004 21:03:33 +0200 From: Eugen Leitl To: chemistry{at}ccl.net Subject: [MMTK] MMTK 2.5.1 with PyMOL support (fwd from hinsen{at}llb.saclay.cea.fr) Message-ID: <20040924190333.GZ1457{at}leitl.org> Mime-Version: 1.0 ----- Forwarded message from hinsen{at}llb.saclay.cea.fr ----- From: hinsen{at}llb.saclay.cea.fr Date: Fri, 24 Sep 2004 18:38:03 +0200 To: pymol-users{at}lists.sourceforge.net, "'mmtk{at}starship.python.net' list" Cc: Subject: [MMTK] MMTK 2.5.1 with PyMOL support X-Mailer: Apple Mail (2.619) A new development release of MMTK is available for download. See http://dirac.cnrs-orleans.fr/MMTK/download.html for details. The major new experimental feature is the PyMOL interface module. If Python scripts using MMTK are run from inside PyMOL, then all visualization routines will automatically use PyMOL. Animations of all kind are supported. The PyMOL interface module also permits to obtain molecular data from PyMOL and work on it. This is illustrated by two plugins, which can be downloaded as well: - normal_mode_plugin.py Computes normal modes using a simplified model for the protein that is loaded into PyMOL. The normal modes are shown using animations. - deformation_plugin.py Performs a normal-mode based deformation analysis that identifies rigid and flexible regions in a protein. The result is shown by colour-coding. A third plugin, trajectory_plugin.py, loads MMTK trajectories into PyMOL for visualization. As always, feedback is welcome! -- --------------------------------------------------------------------- Konrad Hinsen Laboratoire L=E9on Brillouin, CEA Saclay, 91191 Gif-sur-Yvette Cedex, France Tel.: +33-1 69 08 79 25 Fax: +33-1 69 08 82 61 E-Mail: hinsen{at}llb.saclay.cea.fr --------------------------------------------------------------------- _______________________________________________ mmtk maillist - mmtk{at}starship.python.net http://starship.python.net/mailman/listinfo/mmtk ----- End forwarded message ------- Eugen* Leitl leitl ______________________________________________________________ ICBM: 48.07078, 11.61144 http://www.leitl.org 8B29F6BE: 099D 78BA 2FD3 B014 B08A 7779 75B0 2443 8B29 F6BE http://moleculardevices.org http://nanomachines.net