From chemistry-request@server.ccl.net Mon Dec 24 00:01:08 2001 Received: from ks.uiuc.edu ([130.126.120.73]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id fBO518S22620 for ; Mon, 24 Dec 2001 00:01:08 -0500 Received: from geneseo.ks.uiuc.edu (geneseo.ks.uiuc.edu [130.126.120.127]) by ks.uiuc.edu (8.11.2/8.11.2) with ESMTP id fBO50ec05582; Sun, 23 Dec 2001 23:00:40 -0600 (CST) Received: (from johns@localhost) by geneseo.ks.uiuc.edu (8.9.3+Sun/8.9.1) id XAA29169; Sun, 23 Dec 2001 23:00:40 -0600 (CST) Date: Sun, 23 Dec 2001 23:00:40 -0600 From: John Stone To: chemistry@ccl.net Cc: vmd@ks.uiuc.edu Subject: Announce: VMD 1.7.1 released! Message-ID: <20011223230039.B28274@geneseo.ks.uiuc.edu> Mail-Followup-To: John Stone , chemistry@ccl.net, vmd@ks.uiuc.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Disposition: inline User-Agent: Mutt/1.3.19i Dear CCL, We are happy to announce the release of VMD 1.7.1, a molecular visualization and analysis program for MacOS X, Unix, and Windows. The new version can be downloaded from the VMD web page: http://www.ks.uiuc.edu/Research/vmd/vmd-1.7.1/ I've included a brief list of the most noteworthy features and improvements in the new version. The full README file is available here: Please feel free to email us if you have any questions. http://www.ks.uiuc.edu/Research/vmd/vmd-1.7.1/README.html Thanks, John Stone vmd@ks.uiuc.edu What's new in VMD 1.7.1? ------------------------ New Features o New volume rendering features including isosurface display, volume slicing with support for hardware accelerated 3-D texture mapping, and a Tcl volume data loader interface. o Support for scanline-interleaved stereoscopic rendering for hardware such as the Eye3D stereo glasses and decoders. These work on Linux, Windows, and most any other platform with VGA and USB connectors, and they don't require any special software in order to work with VMD. o First inclusion of VMD plugin architecture. Initially used to provide the structure building capabilities of psfgen in VMD. o Added "mol selupdate" and "$sel update" commands. "mol selupdate" ' causes automatic updates of the selection for the specified representation. o The Windows version of VMD can now be run from a command line with the use of the Windows "start" command, i.e. something like "start c:\vmd\vmd.exe -nt -e myscript.vmd" could be used to start VMD if it were installed in directory c:\vmd. General Improvements and Bug Fixes o Includes a much faster version of Stride for secondary structure calculation. o Includes new version of the Tachyon ray tracer, 0.93.4. o Multi-level OpenGL stipple-based "screen door" transparency. Now implements varying levels of transparency. o Improved support for WireGL cluster-based rendering and tiled display walls. o The IMD code now closes down active socket connections more carefully, allowing the kernel to complete any in-progress write operations before closing the socket. o POV-Ray scene export improved with new camera parameters and support for orthographic views, shadow control, and matched perspective camera views. o Tachyon scene export improved with new camera parameters for matched perspective views with VMD. o Raster3D scene export improved with new camera parameters for matched perspective views with VMD. o The Windows version of VMD now reads "vmd.rc" for startup instead of ".vmdrc". This makes it much easier to edit the startup files on Windows. o Replaced DNA example molecule with a better one. o H-bonds shown in the H-bond rep are now pickable. o Added code to read the unit cell data from Charmm trajectory files. o Improved robustness and error handling when reading Raster3D scene files. Fixed Raster3D file reading crash. o The "delete" option for atom selections no longer leaks memory in the case when it is used within a Tcl loop. o Eliminated atom selection and Tcl related memory leaks Fixed Bugs and PRs: 107, 168, 170, 171, 172, 173, 174, 177, 178 User Interface Changes o Users can select either FLTK or Tk file browsers according to their personal preference. Some people prefer the Windows-like function of the Tk browsers, while others like the filename completion of the FLTK file browser. This is configured by setting the VMDFILECHOOSER environment variable. The default browser for Windows is the Tk browser, for Unix systems the FLTK browser is the default. o Reverted behavior of the edit form old "-1" index use. User Documentation Updates o New manual section for the sequence window o Updated sections regarding .vmdrc since Windows now uses vmd.rc instead. o Updated the betacolor example script included in the docs for new versions of VMD. o Updated the animation scripts in the script library for new versions of VMD. o Improved index entries pertaining to lighting and shading. -- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns@ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078 From chemistry-request@server.ccl.net Mon Dec 24 05:29:23 2001 Received: from mailc.surrey.ac.uk ([131.227.100.12]) by server.ccl.net (8.11.6/8.11.0) with SMTP id fBOATNS29490 for ; Mon, 24 Dec 2001 05:29:23 -0500 Received: from pc121.surrey.ac.uk (actually host pc121.chem.surrey.ac.uk) by mailc.surrey.ac.uk with SMTP Local (PP) with ESMTP; Mon, 24 Dec 2001 10:28:54 +0000 Message-Id: <5.1.0.14.2.20011224102300.00a9bec0@pop.surrey.ac.uk> X-Sender: chp1jv@pop.surrey.ac.uk X-Mailer: QUALCOMM Windows Eudora Version 5.1 Date: Mon, 24 Dec 2001 10:28:29 +0000 To: chemistry@ccl.net From: Jose Villanueva Subject: NOESY.. Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed Dear friends, First of all, Merry Christmas and a Happy New Year for all of You! I am looking for software and references about structural analysis by NMR NOESY measurements in solutions of metal cation complexes with calix(4)arene derivatives, could you help me? Thak you very much JOse Jose A. Villanueva-Salas Q.F. Jose A. Villanueva-Salas chp1jv@surrey.ac.uk jvillans@ucsm.edu.pe Thermochemistry Lab. - University of Surrey School of Pharmacy Guildford, Surrey, GU2 7XH, UK Catholic University of Santa Maria Tel.01483 689588 Fax. 01483 686851 Arequipa - PERU Telefax. +5154272551