14 .TH XScreenSaver 1 "13-Mar-01" "X Version 11"
16 molecule - draws 3D moleclear structures
19 [\-display \fIhost:display.screen\fP] [\-window] [\-root]
20 [\-visual \fIvisual\fP] [\-delay \fImicroseconds\fP] [\-fps]
21 [\-wander] [\-no-wander]
26 [\-timeout \fIseconds\fP]
27 [\-labels] [\-no-labels]
28 [\-titles] [\-no-titles]
29 [\-atoms] [\-no-atoms]
30 [\-bonds] [\-no-bonds]
31 [\-molecule \fIfile-or-directory\fP]
33 The \fImolecule\fP program draws several different representations of
34 molecules. Some common molecules are built in, and it can read PDB
35 (Protein Data Base) files as input.
38 accepts the following options:
41 Draw on a newly-created window. This is the default.
44 Draw on the root window.
47 Install a private colormap for the window.
49 .B \-visual \fIvisual\fP\fP
50 Specify which visual to use. Legal values are the name of a visual class,
51 or the id number (decimal or hex) of a specific visual.
54 Display a running tally of how many frames per second are being rendered.
55 In conjunction with \fB\-delay 0\fP, this can be a useful benchmark of
59 Print debugging info on stderr about files being loaded, etc.
62 Move the molecules around the screen.
65 Keep the molecule centered on the screen. This is the default.
68 Which axes around which the molecule should spin. The default is "XYZ",
69 meaning rotate it freely in space. "\fB\-spin Z\fP" would rotate the
70 molecule in the plane of the screen while not rotating it into or out
74 Don't spin it at all: the same as \fB\-spin ""\fP.
77 Draw labels on the atoms (or the spot where the atoms would be.)
81 Do not draw labels on the atoms.
84 Print the name of the molecule and its chemical formula at the top of
88 Do not print the molecule name.
91 Represent the atoms as shaded spheres of appropriate sizes.
95 Do not draw spheres for the atoms: only draw bond lines.
98 Represent the atomic bonds as solid tubes of appropriate thicknesses.
102 Do not draw the bonds: instead, make the spheres for the atoms be
103 larger, for a "space-filling" representation of the molecule.
106 Draw a wireframe rendition of the molecule: this will consist only of
107 single-pixel lines for the bonds, and text labels where the atoms go.
108 This will be very fast.
110 .B \-timeout \fIseconds\fP
111 When using the built-in data set, change to a new molecule every
112 this-many seconds. Default is 20 seconds.
114 .B \-molecule \fIfile-or-directory\fP
115 Instead of using the built-in molecules, read one from the given file.
116 This file must be in PDB (Protein Data Base) format. (Note that it's
117 not uncommon for PDB files to contain only the atoms, with no (or
118 little) information about the atomic bonds.)
120 This can also be a directory, in which case, all of the .pdb files in
121 that directory will be loaded. A new one will be displayed at random
122 every few seconds (as per the \fI\-timeout\fP option.)
124 When the molecule is too large (bigger than about 30 angstroms from
125 side to side), the \fI\-label\fP option will be automatically turned
126 off, because otherwise, the labels would overlap and completely obscure
129 When the molecule is around 150 angstroms from side to side, wireframe
130 mode will be turned on (because otherwise it would be too slow.)
135 to get the default host and display number.
138 to get the name of a resource file that overrides the global resources
139 stored in the RESOURCE_MANAGER property.
144 Documentation on the PDB file format:
146 http://www.rcsb.org/pdb/docs/format/pdbguide2.2/guide2.2_frame.html
148 A good source of PDB files:
150 http://www.sci.ouc.bc.ca/chem/molecule/molecule.html
153 Copyright \(co 2001, 2004 by Jamie Zawinski.
154 Permission to use, copy, modify, distribute, and sell this software and
155 its documentation for any purpose is hereby granted without fee,
156 provided that the above copyright notice appear in all copies and that
157 both that copyright notice and this permission notice appear in
158 supporting documentation. No representations are made about the
159 suitability of this software for any purpose. It is provided "as is"
160 without express or implied warranty.
162 Jamie Zawinski <jwz@jwz.org>