X-Git-Url: http://git.hungrycats.org/cgi-bin/gitweb.cgi?p=xscreensaver;a=blobdiff_plain;f=hacks%2Fglx%2Fmolecule.man;fp=hacks%2Fglx%2Fmolecule.man;h=6ec8328d6d2364e11fc7c13201f461f68e557fbc;hp=0000000000000000000000000000000000000000;hb=ffcd2e7e3da122dbba5c4188e05d3a63d0ede26e;hpb=019de959b265701cd0c3fccbb61f2b69f06bf9ee diff --git a/hacks/glx/molecule.man b/hacks/glx/molecule.man new file mode 100644 index 00000000..6ec8328d --- /dev/null +++ b/hacks/glx/molecule.man @@ -0,0 +1,160 @@ +.TH XScreenSaver 1 "13-Mar-01" "X Version 11" +.SH NAME +molecule - draws 3D molecular structures +.SH SYNOPSIS +.B molecule +[\-display \fIhost:display.screen\fP] [\-window] [\-root] +[\-visual \fIvisual\fP] [\-delay \fImicroseconds\fP] +[\-wander] [\-no-wander] +[\-spin \fIaxes\fP] +[\-no-spin] +[\-timeout \fIseconds\fP] +[\-labels] [\-no-labels] +[\-titles] [\-no-titles] +[\-atoms] [\-no-atoms] +[\-bonds] [\-no-bonds] +[\-shells] [\-no-shells] +[\-molecule \fIfile-or-directory\fP] +[\-verbose] +[\-wireframe] +[\-fps] +.SH DESCRIPTION +The \fImolecule\fP program draws several different representations of +molecules. Some common molecules are built in, and it can read PDB +(Protein Data Base) files as input. +.SH OPTIONS +.I molecule +accepts the following options: +.TP 8 +.B \-window +Draw on a newly-created window. This is the default. +.TP 8 +.B \-root +Draw on the root window. +.TP 8 +.B \-install +Install a private colormap for the window. +.TP 8 +.B \-visual \fIvisual\fP\fP +Specify which visual to use. Legal values are the name of a visual class, +or the id number (decimal or hex) of a specific visual. +.TP 8 +.B \-fps +Display the current frame rate, CPU load, and polygon count. +.TP 8 +.B \-verbose +Print debugging info on stderr about files being loaded, etc. +.TP 8 +.B \-wander +Move the molecules around the screen. +.TP 8 +.B \-no\-wander +Keep the molecule centered on the screen. This is the default. +.TP 8 +.B \-spin +Which axes around which the molecule should spin. The default is "XYZ", +meaning rotate it freely in space. "\fB\-spin Z\fP" would rotate the +molecule in the plane of the screen while not rotating it into or out +of the screen; etc. +.TP 8 +.B \-no\-spin +Don't spin it at all: the same as \fB\-spin ""\fP. +.TP 8 +.B \-labels +Draw labels on the atoms (or the spot where the atoms would be.) +This is the default. +.TP 8 +.B \-no\-labels +Do not draw labels on the atoms. +.TP 8 +.B \-titles +Print the name of the molecule and its chemical formula at the top of +the screen. +.TP 8 +.B \-no\-titles +Do not print the molecule name. +.TP 8 +.B \-atoms +Represent the atoms as shaded spheres of appropriate sizes. +This is the default. +.TP 8 +.B \-no\-atoms +Do not draw spheres for the atoms: only draw bond lines. +.TP 8 +.B \-bonds +Represent the atomic bonds as solid tubes of appropriate thicknesses. +This is the default. +.TP 8 +.B \-no\-bonds +Do not draw the bonds: instead, make the spheres for the atoms be +larger, for a "space-filling" representation of the molecule. +.TP 8 +.B \-shells +Draw transparent electron shells around the atoms. This only works +if bonds are also being drawn. +.TP 8 +.B \-no\-shells +Do not draw electron shells. This is the default. +.TP 8 +.B \-shell\-alpha +When drawing shells, how transparent to make them. Default 0.4. +.TP 8 +.B \-wireframe +Draw a wireframe rendition of the molecule: this will consist only of +single-pixel lines for the bonds, and text labels where the atoms go. +This will be very fast. +.TP 8 +.B \-timeout \fIseconds\fP +When using the built-in data set, change to a new molecule every +this-many seconds. Default is 20 seconds. +.TP 8 +.B \-molecule \fIfile-or-directory\fP +Instead of using the built-in molecules, read one from the given file. +This file must be in PDB (Protein Data Base) format. (Note that it's +not uncommon for PDB files to contain only the atoms, with no (or +little) information about the atomic bonds.) + +This can also be a directory, in which case, all of the .pdb files in +that directory will be loaded. A new one will be displayed at random +every few seconds (as per the \fI\-timeout\fP option.) +.PP +When the molecule is too large (bigger than about 30 angstroms from +side to side), the \fI\-label\fP option will be automatically turned +off, because otherwise, the labels would overlap and completely obscure +the display. + +When the molecule is around 150 angstroms from side to side, wireframe +mode will be turned on (because otherwise it would be too slow.) +.SH ENVIRONMENT +.PP +.TP 8 +.B DISPLAY +to get the default host and display number. +.TP 8 +.B XENVIRONMENT +to get the name of a resource file that overrides the global resources +stored in the RESOURCE_MANAGER property. +.SH SEE ALSO +.BR X (1), +.BR xscreensaver (1) +.PP +Documentation on the PDB file format: + + http://www.wwpdb.org/docs.html + http://www.rcsb.org/pdb/docs/format/pdbguide2.2/guide2.2_frame.html + +A good source of PDB files: + + http://www.umass.edu/microbio/rasmol/whereget.htm + http://www.wwpdb.org/docs.html +.SH COPYRIGHT +Copyright \(co 2001-2005 by Jamie Zawinski. +Permission to use, copy, modify, distribute, and sell this software and +its documentation for any purpose is hereby granted without fee, +provided that the above copyright notice appear in all copies and that +both that copyright notice and this permission notice appear in +supporting documentation. No representations are made about the +suitability of this software for any purpose. It is provided "as is" +without express or implied warranty. +.SH AUTHOR +Jamie Zawinski