README.md
1MolScript v2.1.2
2================
3
4 Copyright (C) 1997-1998 Per J. Kraulis
5
6<table>
7 <tr>
8 <td>
9 <img src="docs/images/ras_std.jpg" title="ras_std">
10 </td>
11 <td>
12 <img src="docs/images/ras_cyl.jpg" title="ras_cyl">
13 </td>
14 <td>
15 <img src="docs/images/ras_gdp_balls.jpg" title="ras_gdp_balls">
16 </td>
17 </tr>
18</table>
19
20MolScript is a program for displaying molecular 3D structures, such as
21proteins, in both schematic and detailed representations.
22
23The documentation is at [http://pekrau.github.io/MolScript/](http://pekrau.github.io/MolScript/).
24
25Background
26----------
27
28MolScript has for a long time been a standard tool in the science of
29macromolecular structures. [The paper describing
30it](http://dx.doi.org/10.1107/S0021889891004399 "MOLSCRIPT: a program
31to produce both detailed and schematic plots of protein structures.")
32appears as number 82 in the list of the Nature feature article ["The
33Top 100 Papers. Nature explores the most-cited research of all
34time"](http://www.nature.com/news/the-top-100-papers-1.16224) by
35Richard Van Noorden, Brendan Maher & Regina Nuzzo published [30 Oct
362014](http://www.nature.com/nature/journal/v514/n7524/index.html).
37
38I have written a blog post [MolScript: A story of success and
39failure](http://kraulis.wordpress.com/2014/11/03/molscript-a-story-of-success-and-failure/),
40describing the history behind its rise and fall.
41
42Open Source
43-----------
44
45MolScript is now available under the MIT license from this GitHub
46repository. I have for a long time intended to make MolScript Open
47Source, but never got around to it. The Nature Top-100-list did the
48trick of pushing me into action.
49
50Version 2.1.2
51-------------
52
53The first version of MolScript (written in Fortran 77) was released in
541991, and its current version (2.1.2, written in C) in 1998.
55
56Please be aware that no changes have been made to the code since
571998. In particular, the Makefile for the executable including OpenGL
58support is not up to scratch. It needs updating. If anyone is willing to
59help, I would much appreciate it.
60
61I have tested the `Makefile.basic` file, which builds an executable
62with support for PostScript, Raster3D and VRML. It works, at least on
63Ubuntu 12.04. I have also verified that the [Raster3D software
64(v3.0)](http://skuld.bmsc.washington.edu/raster3d/html/raster3d.html)
65still works with MolScript.
66
67Future plans
68------------
69
70I have very little time to work on MolScript currently. Other projects
71are more pressing. If anyone is willing to "take over" (i.e. fork) and
72continue developing MolScript, I would be very pleased.
73
74Here are some possible items for a roadmap for future development of MolScript:
75
76* Fix the OpenGL implementation, with a working Makefile.
77
78* Prepare a proper Debian package for easier installation.
79
80* Add a proper interactive interface to the OpenGL implementation. The
81 script language was nice once upon a time, but today it must be
82 considered as user-hostile and cumbersome.
83
84* Write an implementation to produce
85 [X3D](http://www.web3d.org/x3d/what-x3d), the successor to the VRML
86 format for 3D objects on the web.
87
88* Write a [WebGL](http://en.wikipedia.org/wiki/WebGL) implementation.
89
90* Set up a web service producing images from input scripts using MolScript.
91
92
93Reference
94---------
95
96 Per J. Kraulis
97 MOLSCRIPT: a program to produce both detailed and schematic plots of
98 protein structures.
99 J. Appl. Cryst. (1991) 24, 946-950
100
101This paper is now available under Open Access: [PDF](docs/kraulis_1991_molscript_j_appl_cryst.pdf)
102
103[DOI:10.1107/S0021889891004399](http://dx.doi.org/10.1107/S0021889891004399)
104
105[Entry at J. Appl. Cryst. web site](http://scripts.iucr.org/cgi-bin/paper?S0021889891004399)
106
107
