From chemistry-request@www.ccl.net Wed Apr 14 07:43:37 1999 Received: from coltrane.dichi.unina.it (cavallo@coltrane.dichi.unina.it [192.135.165.154]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id HAA00214 Wed, 14 Apr 1999 07:43:33 -0400 (EDT) Received: from localhost (cavallo@localhost) by coltrane.dichi.unina.it (8.8.7/8.8.7) with ESMTP id NAA06824 for ; Wed, 14 Apr 1999 13:44:54 GMT X-Authentication-Warning: coltrane.dichi.unina.it: cavallo owned process doing -bs Date: Wed, 14 Apr 1999 13:44:53 +0000 (GMT) From: Luigi Cavallo X-Sender: cavallo@coltrane.dichi.unina.it To: CHEMISTRY@www.ccl.net Subject: Summary: Unix programs to plot energy maps In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Well, the winner is gnuplot. Defenitely. After a couple of hours and some example scripts from some of you (thanx) I've been able to do exactly what I wanted. Neat! Thanks to all of you out there. Below, the required summary. Luigi ---------------------------------------------------------------------------------- GNUPLOT http://www.cs.dartmouth.edu/gnuplot_info.html Graphic front end extensions to gnuplot xgfe http://www.bl.physik.tu-muenchen.de/rechner/grafik/xgfe/xgfe.html) kgnuplot Under KDE (http://www.kde.org) kdenonbeta packages kgplot Under KDE, http://www.ph.utexas.edu/~lai/kgplot/kgplot.html Nice tutorials, not only gnuplot but PlotMTV and Xmgr as well. http://nacphy.physics.orst.edu/DATAVIS/ ---------------------------------------------------------------------------------- Other programs + some comments (not mine) PlotMTV http://aixpdslib.seas.ucla.edu/plot-tools/plotmtv4.html). It's less powerful than gnuplot, but works pretty nice. contour3D ftp://ftp.univie.ac.at/systems/hpux/hpux/Maths/Misc/contour3D-3.0 Although in that address there are binaries only for HP-UX, the source code should be compiled on any Unix platform running X-Windows. INTERCHEM http://interchem.chem.strath.ac.uk/inter/interprobe.html has the sort of facilities you require. In connection with displaying protein structures, it will show the distribution of torsion angles, phi and psi as a scatter plot of Ramachandran type. The INTERCHEM package runs exclusively on SGI platforms, but is supplied with full source code, and should therefore be capable of being ported to other UNIX platforms. The academic price for the package is 500 GBpounds or 750 Euros. OCTAVE http://www.che.wisc.edu/octave It is a free Matlab-clone, so it is a programming language that is useful to do things in a "quick and dirty" way. It uses gnuplot as the main plotting engine, but people have written all sorts of drivers to other graphics formats, e.g. VRML. VU http://www.cerca.umontreal.ca/vu/ IBM-DX http://www.almaden.ibm.com/dx/ DX runs on 7 major UNIX platforms and on Intel-based PCs (Windows NT and Windows 95) and is designed to take full advantage of multi-processor systems from IBM, SGI and Sun. A fully-functional trial version with a free enabling key is available. DYANA http://www.mol.biol.ethz.ch/wuthrich/software/ Uses pdb files as input ----------------------------------------------------------------------------------- Some other stuff, no comments. PV-Wave AVS MATHEMATICA http://www.gnu.org/software/plotutils/plotutils.html http://www-rocq.inria.fr/scilab http://xfiles.llnl.gov/PyGraphics http://root.cern.ch http://plasma-gate.weizmann.ac.il/Xmgr -----------------------------------------------------------------------------------