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gnuplot is a command-line and GUI program that can generate two- and three-dimensional plots of functions, data, and data fits. The program runs on all major computers and operating systems (Linux, Unix, Microsoft Windows, macOS, FreeDOS, and many others). [3]
C-assembly, Windows, Linux, Mac [34] [self-published source?] Fully featured molecular modeling and simulation program, incl., structure prediction and docking. Graphical or text mode (clusters), Python interface.
Coot Ramachandran plot validation tool Coot density fit validation tool. In macromolecular crystallography, the observed data is often weak and the observation-to-parameter ratio near 1. As a result, it is possible to build an incorrect atomic model into the electron density in some cases. To avoid this, careful validation is required.
Plotting of 3D data can be rendered using OpenGL using the Qwt3D libraries. The program is also extensible to a considerable degree via muParser and Python scripting language, which allows adding the arbitrary user-defined functions with access to graphs, matrices and data tables.
The plots can be exported to several bitmap formats, PDF, EPS or SVG. Note windows support in-place evaluation of mathematical expressions or an optional scripting interface to Python . The GUI of the application uses the Qt toolkit .
Grace is a free WYSIWYG 2D graph plotting tool, for Unix-like operating systems. The package name stands for "GRaphing, Advanced Computation and Exploration of data." Grace uses the X Window System and Motif for its GUI. It has been ported to VMS, OS/2, and Windows 9*/NT/2000/XP (on Cygwin).
They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs include both open source and commercial software. Most of them are large, often containing several separate programs, and have been developed over many years.
Molden program has been tested on different platforms, namely Linux, Windows NT, Windows95, Windows2000, WindowsXP, MacOSX, Silicon Graphics IRIX, Sun SunOS and Solaris. Ambfor, the main force field module of Molden, is an external program that can be initialized from Molden.