XCrySDen—a new program for displaying crystalline structures and electron densities

Journal of Molecular Graphics and Modelling - Tập 17 Số 3-4 - Trang 176-179 - 1999
Anton Kokalj1
1Department of Physical and Organic Chemistry, J. Stefan Institute, Ljubljana, Slovenia

Tóm tắt

Từ khóa


Tài liệu tham khảo

Sayle, R. Rasmol v2.5—A Molecular Visualisation Program. Glaxo Research and Development Greenford, Middlesex, UK; Sayle, R.A., and Milner-White, S.C. RASMOL: Biomolecular graphics for all. Trends Biochem. Sci. 1995, 20, 374–376

Minnesota Supercomputer Center. Xmol User Guide, version 1.3.1. Minnesota Supercomputer Center, Inc., Minneapolis, Minnesota, 1993

Schaftenaar, G. MOLDEN: A Portable Electron Density Program. Quantum Chemical Program Exchange QCPE619; MOLDEN: A pre and post-processing program of molecular and electronic structure. http://www.caos.kun.nl/∼schaft/molden/molden.html

Koradi, 1996, MOLMOL, J. Mol. Graphics, 14, 51, 10.1016/0263-7855(96)00009-4

Johnson, E.L., and Reichard, K. X Window Applications Programming, MIS, Inc., a subsidiary of Henry Holt and Company, New York, 1992

GNU Library General Public License, version 2. Free Software Foundation, Boston, 1991

Silicon Graphics, Inc. The OpenGL Programming Guide. Addison-Wesley, Reading, Massachusetts, 1993

Paul, B. Mesa—The Free OpenGL Work-Alike Library. http://www.mesa3d.org/. 1999

Zhao, T.C., and Overmars, M. XForms—Forms Library: A Graphical User Interface Toolkit for X. http://bragg.phys.uwm.edu/xforms. 1999

Ascher, D., and Lutz, M. Learning Python. O’Reilly & Associates, Beijing, 1999; Python—interpreted, interactive, object-oriented, extensible programming language. http://www.dstc.edu.au/python/. 1997

Amundson, S.T. The GIMP Toolkit. http://www.gtk.org/. 1999

Ousterhout, J.K. Tcl and the Tk Toolkit. Professional Computing Series. Addison-Wesley, Reading, Massachusetts, 1994; Welch, B.B. Practical Programming in Tcl and TK. Prentice Hall PTR, Englewood Cliffs, New Jersey, 1995; some information about Tcl/Tk can be browsed from http://www.tclconsortium.org/, http://www.elf.org/, and http://www.tcltk.com/

Linux is a free Unix-type operating system originally created by Linus Torvalds with the assistance of developers around the world. Linux is an independent POSIX implementation and includes true multitasking, virtual memory, shared libraries, demand loading, proper memory management, TCP/IP networking, and other features consistent with Unix-type systems. Developed under the GNU General Public License,6 the source code for Linux is freely available to everyone. The web site of Linux can be found at http://www.linux.org/

Awk was written by: Aho, V.A., Weinberger, P.J., and Kernighan, B.W. at AT&T Bell Laboratories, 1997; Robbins, A.D. AWK Language Programming, A User’s Guide for GNU AWK, 1996

Network Computing Services, Inc. XYZ Format. http://www.msc.edu/msc/docs/xmol/XMol.html. 1995

Brookhaven Protein Data Bank. PDB Format. http://www.pdb.bnl.gov/. 1999

Brooks, 1983, CHARMM: Chemistry at Harvard Macromolecular Mechanics. J. Comput. Chem., 4, 187

J.L. Finney. J. Comput. Phys. 1979, 32, 137

Jarvis, R.A. On the identification of the convex hull of a finite set of points in the plane. Inf. Proc. Lett. 1973, 2, 18–21; Cormen, T.H., et al. Introduction to Algorithms. MIT Press, Cambridge 1990

Knuth, D.E. Sorting and Searching. The Art of Computer Programming. Reading, MA: Addison-Wesley, 1973, vol. 3. Sedgewick, R., Algorithms. 2nd ed., Reading, MA: Addison-Wesley 1988, Chapter 11. Press, W.H., Teukolsky, S.A., Vetterling, W.T., Flannery, B.P. Numerical Recepies in Fortran 77: The Art of Scientific Computing. 2nd ed., Cambridge University Press, 1992, Chapter 8.

Williams, T., and Kelley, C. Gnuplot–An Interactive Plotting Program. http://www.cs.dartmouth.edu/gnuplot/gnuplot.html. 1995

Lorensen, 1987, Comput. Graphics, 21, 163, 10.1145/37402.37422

Bourke, P. Modelling. http://www.swin.edu.au/astronomy/pbourke/modelling/. 1999