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RasMol V2.7.2.1.1 README
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| <a href="http://www.OpenrasMol.org">OpenRasMol</a> |
<A href="README.html#Copying">Copying and Distribution</A> |
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| <A href="doc/rasmol.html">RasMol Manual</A> |
<a href="doc/esrasmol27.html">Spanish Translation of RasMol Manual</a> |
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| <a href="README.html">Release README</A> |<BR>
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<font color="#0808A0">
<H1 ALIGN=CENTER>README<BR>
RasMol 2.7.2.1.1</H1>
<center>
<table border=0 callpadding=3 cellspacing=0>
<tr>
<td rowspan=9><IMG SRC="html_graphics/rasmollogo.jpg" ALT="RasMol"><BR>
<td colspan=11 bgcolor="#C0C0FF">
<tr>
<td rowspan=7 bgcolor="#C0C0FF">
<th valign="bottom">Version
<td rowspan=7 bgcolor="#C0C0FF">
<th align="center">MAC PPC<br>binaries
<td rowspan=7 bgcolor="#C0C0FF">
<th align="center">MSWIN<br>binaries
<th align="center">RasWin<br>Help File
<td rowspan=7 bgcolor="#C0C0FF">
<th align="center">LINUX<br>binaries
<th align="center">RasMol<br>Help File
<td rowspan=7 bgcolor="#C0C0FF">
<tr><td><a href="../RasMol_2.7.1/README.html">2.7.1</a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.MAC/RasMac_PPC_8BIT.bin">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.MAC/RasMac_PPC_32BIT.bin">32</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.MSWIN/raswin.exe" TYPE="application/octet-stream">8</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1/doc/raswin.hlp" TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.1/doc/raswin.hlp.gz" TYPE="application/octet-stream">gz</a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1/RasMol.LINUX/RedHat_6.0/i386/rasmol_8BIT" TYPE="application/octet-stream">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1/RasMol.LINUX/RedHat_6.0/i386/rasmol_16BIT" TYPE="application/octet-stream">16</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1/RasMol.LINUX/RedHat_6.0/i386/rasmol_32BIT" TYPE="application/octet-stream">32</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1/doc/rasmol.hlp" TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.1/doc/rasmol.hlp.gz" TYPE="application/octet-stream">gz</a>
<tr><td><a href="../RasMol_2.7.1.1/README.html"><b>2.7.1.1</b></a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.1.MAC/RasMac_PPC_8BIT.bin">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.1.MAC/RasMac_PPC_32BIT.bin">32</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.1.MSWIN/raswin.exe" TYPE="application/octet-stream">8</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.1/doc/raswin.hlp" TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.1.1/doc/raswin.hlp.gz" TYPE="application/octet-stream">gz</a
>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.1/RasMol.LINUX/Mandrake_7.2/i586/rasmol_8BIT"
TYPE="application/octet-stream">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.1/RasMol.LINUX/Mandrake_7.2/i586/rasmol_16BIT"
TYPE="application/octet-stream">16</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.1/RasMol.LINUX/Mandrake_7.2/i586/rasmol_32BIT"
TYPE="application/octet-stream">32</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.1.1/doc/rasmol.hlp" TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.1.1/doc/rasmol.hlp.gz" TYPE="application/octet-stream">gz</a
>
<tr><td><a href="../RasMol_2.7.2/README.html">2.7.2</a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.MAC/RasMac_PPC_8BIT.bin">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.MAC/RasMac_PPC_32BIT.bin">32</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.MSWIN/raswin.exe" TYPE="application/octet-stream">8</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2/doc/raswin.hlp" TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.2/doc/raswin.hlp.gz" TYPE="application/octet-stream">gz</a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2/RasMol.LINUX/Mandrake_7.1/i386/rasmol_8BIT" TYPE="application/octet-stream">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2/RasMol.LINUX/Mandrake_7.1/i386/rasmol_16BIT" TYPE="application/octet-stream">16</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2/RasMol.LINUX/Mandrake_7.1/i386/rasmol_32BIT" TYPE="application/octet-stream">32</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2/doc/rasmol.hlp" TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.2/doc/rasmol.hlp.gz" TYPE="application/octet-stream">gz</a>
<tr><td><a href="../RasMol_2.7.2.1/README.html"><b>2.7.2.1</b></a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.MAC/RasMac_PPC_8BIT.bin">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.MAC/RasMac_PPC_32BIT.bin">32</a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.MSWIN/raswin.exe" TYPE="application/octet-stream">8</a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1/doc/raswin.hlp" TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.2.1/doc/raswin.hlp.gz" TYPE="application/octet-stream">gz</a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1/RasMol.LINUX/Mandrake_7.2/i386/rasmol_8BIT"
TYPE="application/octet-stream">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1/RasMol.LINUX/Mandrake_7.2/i386/rasmol_16BIT"
TYPE="application/octet-stream">16</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1/RasMol.LINUX/Mandrake_7.2/i386/rasmol_32BIT"
TYPE="application/octet-stream">32</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1/doc/rasmol.hlp" TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.2.1/doc/rasmol.hlp.gz" TYPE="application/octet-stream">gz</a
>
<tr><td><a href="../RasMol_2.7.2.1.1/README.html"><b>2.7.2.1.1</b></a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.1.MAC/RasMac_PPC_8BIT.bin">8</a>
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.1.MAC/RasMac_PPC_32BIT.bin">32</a>
<td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.1.MSWIN/raswin.exe"
TYPE="application/octet-stream">8</a> <td align="center">
<A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.1/doc/raswin.hlp"
TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.2.1.1/doc/raswin.hlp.gz" TYPE="application/octet-stream">gz</a>
<td align="center">
<A
HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.1/RasMol.LINUX/RedHat_7/i386/rasmol_8BIT"
TYPE="application/octet-stream">8</a>
<A
HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.1/RasMol.LINUX/RedHat_7/i386/rasmol_16BIT"
TYPE="application/octet-stream">16</a>
<A
HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.1/RasMol.LINUX/RedHat_7/i386/rasmol_32BIT"
TYPE="application/octet-stream">32</a>
<td align="center"><A HREF="http://www.bernstein-plus-sons.com/cgi-bin/yaya/decomp.cgi/software/RasMol_2.7.2.1.1/doc/rasmol.hlp"
TYPE="application/octet-stream">raw</a> <A HREF="../RasMol_2.7.2.1.1/doc/rasmol.hlp.gz" TYPE="application/octet-stream">gz</a >
<tr><td colspan=6>
<tr><td colspan=11 bgcolor="#C0C0FF" align=center>See <A href="#CodeAndBinaries">Source Code and Binaries</A> for more.
</table>
</center>
<H3 ALIGN=CENTER>
Molecular Graphics Visualisation Tool<BR>
26 January 2004<BR>
</H3>
</font><font color="#000000">
<CENTER>
Based on RasMol 2.6
by
Roger Sayle<BR>
Biomolecular Structures Group,
Glaxo Wellcome Research & Development,
Stevenage, Hertfordshire, UK<BR>
Version 2.6, August 1995, Version 2.6.4, December 1998<BR>
Copyright © Roger Sayle 1992-1999
</CENTER>
<P>
<CENTER>
and Based on Mods by
<table border=3>
<tr><th align="left">Author<th align="left">Version, Date<th align="left">Copyright
<tr><td>Arne Mueller<td>RasMol 2.6x1 May 1998<td>© Arne Mueller 1998
<tr><td valign="top">Gary Grossman and<br>Marco Molinaro<td>RasMol 2.5-ucb November 1995<br>RasMol 2.6-ucb November 1996
<td valign="top">© UC Regents/ModularCHEM<br>Consortium 1995, 1996
<tr><td>Philippe Valadon<td>RasTop 1.3 August 2000<td>© Philippe Valadon 2000
<tr><td valign="top">Herbert J. Bernstein<td>RasMol 2.7.0 March 1999<br>
RasMol 2.7.1 June 1999<br>RasMol 2.7.1.1 January 2001<BR>
RasMol 2.7.2 August 2000<br>RasMol 2.7.2.1 April 2001<BR>
RasMol 2.7.2.1.1 January 2004<br>
<td valign="top">© Herbert J. Bernstein 1998-2004
</table>
</CENTER>
<P>
<CENTER>
and Incorporating Translations by
<table border=3>
<tr><th align="left">Author<th align="left">Item<th align="left">Language
<tr><td>Isabel Serván Martínez,<br>
José Miguel Fernández Fernández
<td valign="top">2.6 Manual<td valign="top">Spanish
<tr><td>José Miguel Fernández Fernández<td>2.7.1 Manual<td>Spanish
<tr><td>Fernando Gabriel Ranea<td>2.7.1 menus and messages<td>Spanish
<tr><td>Jean-Pierre Demailly<td>2.7.1 menus and messages<td>French
<tr><td>Giuseppe Martini, Giovanni Paolella,<br>A. Davassi, M. Masullo, C. Liotto
<td valign="top">2.7.1 menus and messages<br>
2.7.1 help file<td valign="top">Italian
<tr border=3>
<tr>
</table>
</CENTER>
<P>
<CENTER>
This Release by
<BR>Herbert J. Bernstein,
Bernstein + Sons, P.O. Box 177, Bellport, NY, USA<BR>
<script language="javascript" type="text/javascript">
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<BR>
Copyright © Herbert J. Bernstein 1998-2001<BR>
</CENTER>
<P>
The original RasMol manual was created by Roger Sayle. In July 1996,
Dr. Margaret Wong of the Chemistry Department, Swinburne University
of Technology, Australia, made extensive revisions to the RasMol 2.5
manual to accurately reflect the operation of RasMol 2.6. Eric Martz
of the University of Massachusetts made further revisions. In May
1997, William McClure of Carnegie Mellon University reorganized the
HTML version of the manual into multiple sections which could be
downloaded quickly and added use of frames. Portions of the 2.7.1
version of the RasMol manual were derived with permission from
William McClure's version using Roger Sayle's rasmol.doc for
version 2.6.4 as the primary source. Changes were made in
August 2000 for RasMol version 2.7.2, January 2001 for RasMol
version 2.7.1.1 and April 2001 for RasMol version 2.7.2.1.
<p>
<CENTER>Documentation Last Updated 21 April 2001<BR>
Edited by Herbert J. Bernstein and Frances C. Bernstein
</CENTER>
<p>
<H4 Align="CENTER">Translations</H4>
<P>Thanks to the efforts of José Miguel Fernández
Fernández (Departamento
de Bioquímica y Biología Molecular. Universidad de Granada.
España (<A HREF="mailto:jmfernan@ugr.es">jmfernan@ugr.es</A>)) a
<a href="doc/esrasmol27.html">translation of the
Manual for Rasmol version 2.7.1 into Spanish</a> is now available.
La traducción española del manual de la
versión de la Dra. Wong revisada por Eric Martz fue realizada por
Isabel Serván Martínez y José Miguel Fernández
Fernández. La actual traducción del Manual de RasMol 2.7.1
ha sido realizada usando como base la anterior de RasMol 2.6 por
José Miguel Fernández Fernández.
<P>
Thanks to translations by Fernando Gabriel Ranea <davinci@dinamica.com.ar> in late 2000
and early 2001, RasMol is now
capable of rendering most menu items and messages in Spanish.
Jean-Pierre Demailly <Jean-Pierre.Demailly@ujf-grenoble.fr> provided French
translations of menus and messages in January 2001.
Giuseppe Martini <martini@iigb.na.cnr.it> and Giovanni Paolella <paolella@dbbm.unina.it>
with contributions by A. Davassi, M. Masullo and C. Liotto provided Italian
translations of menus and messages in March 2001.
</P>
<HR>
<H4 ALIGN=CENTER>Production Release
</H4>
<P>RasMol 2.7.2.1.1 is the production release of version 2.7.2 of the RasMol 2.7
series. Aside from code cleanups to avoid compiler warning messages, and
one bug fix (to allow reading of the RCSB PDB mmCIF extensions data sets),
this release is the same as the April 2001 2.7.1.1 release. <b>Thanks to a
report by Julien Hering, the omission of a prior fix to the MS Windows
version was found and corrected on 7 May 2004. People who downloaded
raswin.exe prior to 7 May 2004 should redo the download.</b>
<HR>
<H2 ALIGN=CENTER><A NAME="Copying">IMPORTANT - Copying and Distribution</A></H2>
<P>
This version is based directly on RasMol version 2.7.2, on RasMol 2.7.1.1,
on RasTop 1.3,
on RasMol version 2.6_CIF.2, on RasMol version
2.6x1, on RasMol version 2.6.4, and RasMol 2.5-ucb and 2.6-ucb. Please read the file
<A HREF = "doc/NOTICE.html">NOTICE</A> for
important notices which apply to this package. If you are not going to
make changes to RasMol, you are not only permitted to freely make copies
and distribute them, you are encouraged to do so, provided you do the
following:
<UL>
<LI> 1. Either include the complete documentation, especially the file
<A HREF = "doc/NOTICE.html">NOTICE</A>, with what you distribute or
provide a clear indication where people can get a copy of the documentation; and
<LI> 2. Please give credit where credit is due citing the version and
original authors properly; and
<LI> 3. Please do not give anyone the impression that the original authors
are providing a warranty of any kind.
</UL>
<P>
If you would like to use major pieces of RasMol in some other program, make
modifications to RasMol, or in some other way make what a lawyer would call
a "derived work", you are not only permitted to do so, you are encouraged
to do so. In addition to the things we discussed above, please do the
following:
<UL>
<LI> 4. Please explain in your documentation how what you did differs from
this version of RasMol; and
<LI> 5. Please make your modified source code available.
</UL>
<P>
This version of RasMol is <b>not</b> in the public domain, but it is given
freely to the community in the hopes of advancing science. If you make
changes, please make them in a responsible manner, and please offer
us the opportunity to include those changes in future versions of RasMol.
<HR>
<H3 ALIGN=CENTER><A NAME="Contents">Contents</A></H3>
<P>
<UL>
<LI><A href="#Copying">IMPORTANT - Copying and Distribution</A>
<LI><A href="INSTALL.html">Installation Instructions</A>
<LI><A href="ChangeLog.html">Changes</A>
<LI><A href="TODO.html">Things To Do</A>
<LI><A href="#Introduction">Introduction</A>
<LI><A href="#CodeAndBinaries">Source Code and Binaries</A>
<LI>Directories
<UL>
<LI><A href="ChangeLog/">ChangeLog</A> -- Full ChangeLog directory
<LI><A href="src/">src</A> -- source code
<UL>
<LI><A href="src/mac/">mac</A> -- Macintosh build directory
<LI><A href="src/mswin/">mswin</A> -- Windows build directory
</UL>
<LI><A href="doc/README.html">doc</A> -- documentation
<LI><A href="data/">data</A> -- sample data files
</UL>
</UL>
<HR>
<H3 ALIGN=CENTER><A NAME="Introduction">Introduction</A></H3>
<P>Note: The 2.7.2.1.1 is the final reference release for the
2.7.2 series prior to the creation of version 2.7.3. For most
users there should be no operational changes from version
2.7.2.1, except for the correction to the loading of PDB
exchange dictionary CIFS.
<P>Note: Post release patches to command.c have been included to fix the
handling of load inline in the UCB multiple molecule environment. In
addition conditional code controlled by STRICT was disabled to restore
operation of load inline under windows. Thanks to Jan Reichert
<jr@imb-jena.de> for pointing out these problems. Thanks to E. Martz
<emartz@microbio.umass.edu> for pointing out an error in the Spanish
translation credits which has been corrected.
<P>
The April 2001 posting was made to announce the release of RasMol version 2.7.2.1, which
made the following changes to RasMol 2.7.2, incorporating changes from
RasMol 2.7.1.1 and some changes from RasTop 1.3:
<UL>
<LI>Adaption of the multilingual mods from RasMol 2.7.1.1 into Rasmol 2.7.2.1.
<LI>Rewrite of the mouse handling and rotation logic to correct the
problems in 2.7.2 and make the feel of 2.7.2.1
closer to that of RasMol 2.7.1.
<LI>Addition of French menus and messages
<LI>Addition of Italian menus and messages
<LI>Adoption of picking for selection of atoms, groups or chains from
RasTop 1.3.
<LI>Adoption of backclipping from RasTop 1.3
<LI>Adoption of shadepower command for glassy surfaces from RasTop 1.3
<LI>Change of the menu stereo option to rotate cross-wall-none
<LI>Allow longer atom names (12 characters) in CIFs.
</UL>
<P>
The release of RasMol version 2.7.1.1 made the following changes to RasMol 2.7.1:
<UL>
<LI>Introduction of a multilingual structure for RasMol.
<LI>Population of messages and menu lists for English and Spanish.
<LI>Upgrade of some of the Windows printer logic
<LI>Correction of coordinate handling for Mol2 and XYZ coordinates
<LI>Fix to the parsing of D2O.
</UL>
That was an interim release to facillitate testing of the new multilingual
capabilities. Our thanks to Fernando Gabriel Ranea <davinci@dinamica.com.ar>
for doing the hard work of creating an initial Spanish translation of RasMol 2.7.1.
We have created this new version to allow on-the-fly switching among langauges.
Use the command "Spanish" to request Spanish messages and menus, and "English"
to return to the original English format.
Corrections and translations for additional languages
greatly appreciated.
<P>
The release of RasMol version 2.7.2,
made the following changes to RasMol 2.7.1:
<UL>
<LI>Incorporation of some of the code from the UCB RasMol variants.
Out thanks to Eileen Lewis and Marco Molinaro for their cooperation
in contributing the UCB Enhanced RasMol code for incorporation
into the RasMol 2.7 series.
<LI>Code to represent bonds in and to alternate conformers with
a narrowed portion in the middle of each bond.
<LI>An attempt to fix some of the chirality reversals in some of the
output modes.
<LI>Fixes for some of the problems reported since the last release.
</UL>
<P>
This release does not include the toolbar from the UCB mods. In order
to resolve some cross-platform issues we have started incorporation of
the UCB code for multiple molecules and bond rotation by adding to
the command interface and to the menus. We expect to be able to
add a toolbar in a future release.
<P>
This release is not fully debugged and has some serious problems. This
release is intended for testing and experimentation and not for
production use. Comments and suggestions would be appreciated. We
are aware fo the following deficiencies:
<UL>
<LI>RasMol may have difficulty in allocating colors for molecules
after the first. The fix for this interacts with some other
pending changes, and should be ready for the next release.
<LI>As has been true for all recent versions, the stereo mode defaults
to cross-eyed, which is inconvenient for many users. The next release
will allow cross-eyed and wall-eyed stereo to be selected from the menus.
<LI>Printing under windows is not working for many modern systems.
We hope to have a fix for the next release.
<LI>The fixes for several of the bugs reported against RasMol 2.7.1 have
not been incorporated into RasMol 2.7.2 yet. Our apologies. If you
previously reported a bug in RasMol 2.7.1 which still exists in 2.7.2,
you may resubmit your report, but there is no need to do so.
</UL>
<P>
The release of RasMol version 2.7.1
made the following changes to RasMol 2.7.0:
<UL>
<LI>The ability to automatically mark non bonded atoms in
wireframe and stick displays. Our thanks to R. Curtis Haltiwanger
for suggesting this change.
<LI>The ability to use a proportionally spaced font and to draw labels
with heavier strokes. Our thanks to Eric Martz for suggesting this change.
<LI>The ability to auto-recognize PDB vs. CIF and mmCIF datasets.
<LI>Extensive updating to the manual. Our thanks to William McClure,
Margaret Wong, Eric Martz and Frances Bernstein.
<LI>Updating the canvas title with the PDB ID code and EXPDTA information,
so models will be clearly distinguished from experimental data.
Our thanks to Helen Berman for suggesting this change.
<LI>The ability to report coordinates.
<LI>Additions to the list of pre-defined colours.
<LI>Improved accuracy of coordinates in pseudo-PDB output.
<LI>Fixes to the centering logic.
</UL>
<P>
RasMol version 2.7.0.1 was a
technically minor, but operationally critical upgrade to version 2.7.0,
correcting a serious error in the selection logic introduced in the process
of merging versions to create version 2.7.0.
<P>
RasMol version 2.7.0 combined Roger Sayle's version 2.6.4 with
Herbert Bernstein's CIF
modified version 2.6_CIF(Rev 2) and with Arne Mueller's version 2.6x1. This
combined version allows selection by alternate conformers as well as
by models, production of Ramachandran printer plots (as in F. Bernstein's
fisipl), and access to A. Mueller's POVray output as POVray3 in addition to
the existing POVray version 2 output. (POVray3 should not be used
in the PC or Mac version, yet).
<P>
RasMol version 2.6x1 was an upgrade to RasMol by Arne Mueller to add
code to allow listing of information about the chains, groups or
atoms in a selection, listing of phi-psi, allow selection by cis angle cutoff, and to provide a POV-Ray version 3 output.
<P>
RasMol version 2.6.4 was a major code cleanup and reorganization by Roger
Sayle, dropping obsolete non-ANSI C options and providing speed improvments.
<P>
RasMol version 2.6_CIF(Rev 2) added pre-compiled binaries for
OpenVMS 7.1 (DEC Alpha) and OpenVMS 6.2 (DEC VAX) and replaced the binary
for 68K Apple MacIntoshes in RasMol version 2.6_CIF(Rev 1).
<P>
Rasmol version 2.6_CIF(Rev 1) was
a minor update to RasMol version 2.6_CIF, which added support for alternate
conformer coloring of small molecule CIFs, using _atom_site_disorder_group,
recognizes requests for bonds which have neither atom names nor atom numbers,
ensures zapping of existing bonds when connect command is used.
<P>
RasMol version 2.6_CIF added several new features to RasMol:
<P>
<UL>
<LI>Support for reading IUCr CIF and mmCIF format;
<LI>Coloring for alternate conformers and multiple NMR models;<BR>
<LI>Display of all NMR models in a data set.
</UL>
<P>
This version is available for the Apple Macintosh and PowerMac in
addition to UNIX, VMS and Microsoft Windows versions. However, because
of limitations in the memory management under MacOS, very large
multiple NMR model datasets are not supported on the Mac or PowerMac at
this time.
<P>
For a complete list of changes from RasMol 2.6 refer to the
distribution's <A href="ChangeLog.html">"ChangeLog"</A>.
<P>
For installation instructions see
<A href="INSTALL.html">"INSTALL"</A>.
<P>
For a list of open issues in this version, see
<A href="TODO.html">"TODO"</A>. Roger Sayle's
prior list of pending projects is in <A href="PROJECTS">"PROJECTS"</A>.
<P>
RasMol is a molecular graphics program intended for the visualisation
of proteins, nucleic acids and small molecules. The program is aimed at
display, teaching and generation of publication quality images. The
program has been developed at the University of Edinburgh's
Biocomputing Research Unit and the Biomolecular Structures Group at
Glaxo Research and Development, Greenford, UK.
<P>
RasMol reads in molecular co-ordinate files in a number of formats and
interactively displays the molecule on the screen in a variety of colour
schemes and representations. Currently supported input file formats
include Brookhaven Protein Databank (PDB), Tripos' Alchemy and Sybyl
Mol2 formats, Molecular Design Limited's (MDL) Mol file format,
Minnesota Supercomputer Center's (MSC) XMol XYZ format, CHARMm format,
MOPAC format, CIF format and mmCIF format files. If connectivity
information and/or secondary structure information is not contained in
the file this is calculated automatically. The loaded molecule may be
shown as wireframe, cylinder (drieding) stick bonds, alpha-carbon
trace, spacefilling (CPK) spheres, macromolecular ribbons (either
smooth shaded solid ribbons or parallel strands), hydrogen bonding and
dot surface. Atoms may also be labelled with arbitrary text strings.
Alternate conformers and multiple NMR models may be specially coloured
and identified in atom labels. Different parts of the molecule may be
displayed and coloured independently of the rest of the molecule or
shown in different representations simultaneously. The space filling
spheres can even be shadowed. The displayed molecule may be rotated,
translated, zoomed, z-clipped (slabbed) interactively using either the
mouse, the scroll bars, the command line or an attached dials box.
RasMol can read a prepared list of commands from a `script' file (or
via interprocess communication) to allow a given image or viewpoint to
be restored quickly. RasMol can also create a script file containing
the commands required to regenerate the current image. Finally the
rendered image may be written out in a variety of formats including
both raster and vector PostScript, GIF, PPM, BMP, PICT, Sun rasterfile
or as a MolScript input script or Kinemage.
<P>
RasMol will run on a wide range of architectures and systems including
SGI, sun4, sun3, sun386i, SGI, DEC, HP and E&S workstations, IBM
RS/6000, Cray, Sequent, DEC Alpha (OSF/1, OpenVMS and Windows NT), IBM
PC (under Microsoft Windows, Windows NT, OS/2, Linux, BSD386 and *BSD),
Apple Macintosh (System 7.0 or later), PowerMac and VAX VMS (under DEC
Windows). UNIX and VMS versions require an 8bit, 24bit or 32bit X
Windows frame buffer (X11R4 or later). The X Windows version of RasMol
provides optional support for a hardware dials box and accelerated
shared memory rendering (via the XInput and MIT-SHM extensions) if
available.
<P>
As of this writing (16 February 2004), this version has
been built for RedHat 7 Linux, SGI, AIX, Mac, and IBM PC under
Windows 95/98.
Reports of builds and/or problems on other platforms appreciated.
<P>
<HR>
<H3 ALIGN=CENTER><A NAME="CodeAndBinaries">Source Code and Binaries</A></H3>
<P>
The complete source code
and user documentation of RasMol 2.7.2.1.1 may be obtained by
anonymous FTP at:
<P>
<A
href="ftp://ftp.bernstein-plus-sons.com/software/RasMol_2.7.2.1.1.tar.gz">ftp://ftp.bernstein-plus-sons.com/software/RasMol_2.7.2.1.1.tar.gz</A>
<P>
or on the web at:
<P>
<A
href="http://www.bernstein-plus-sons.com/software/RasMol_2.7.2.1.1.tar.gz">http://www.bernstein-plus-sons.com/software/RasMol_2.7.2.1.1.tar.gz</A>
<P>
The source code and documentation are
stored in several files appropriate for the receiving operating system.
Please read the "README" file in the distribution directory. See the table
below for appropriate binaries. <B>Mac and Windows binaries are no longer
included on the tar</B>.
Unix and VMS users should retrieve the same file for source code and
documentation, and one or more of the following pre-compiled binaries:
<B>WARNING: <B>ALL</B> binaries are gzipped!!!</B>. Uncompressed
binaries are also available in the second section of each page.
<P>
<center>
<TABLE>
<TR><TH ALIGN=LEFT>DEC/Compaq/HP: </TH><TD><A HREF="../RasMol_2.7.2.1.1.DEC/index.html">RasMol.DEC</a></TD>
<TR><TH ALIGN=LEFT>HP: </TH><TD><A HREF="../RasMol_2.7.2.1.1.HP/index.html">RasMol.HP</a></TD>
<TR><TH ALIGN=LEFT>Linux (RedHat 7, i386): </TH><TD><A HREF="../RasMol_2.7.2.1.1.LINUX/index.html">RasMol.LINUX</a></TD>
<TR><TH ALIGN=LEFT>Mac: </TH><TD><A HREF="../RasMol_2.7.2.1.1.MAC/index.html">RasMol.MAC</a></TD>
<TR><TH ALIGN=LEFT>MS Windows: </TH><TD><A HREF="../RasMol_2.7.2.1.1.MSWIN/index.html">RasMol.MSWIN</a></TD>
<TR><TH ALIGN=LEFT>RS/6000: </TH><TD><A HREF="../RasMol_2.7.2.1.1.RS6K/index.html">RasMol.RS6K</a></TD>
<TR><TH ALIGN=LEFT>SGI: </TH><TD><A HREF="../RasMol_2.7.2.1.1.SGI/index.html">RasMol.SGI</a></TD>
</TABLE>
</center>
<P>
You will need both an appropriate binary and a copy of rasmol.hlp for each
system, and, under Windows, a copy of raswin.hlp for the WinHelp sub-system.
<P>
Please remember to use
"binary" mode when transferring these files between systems. Check that
the file size is the same before and after transfer.
<P>
Any comments, suggestions or questions about this
modified version of RasMol should be directed to
<A HREF="mailto:rasmol@bernstein-plus-sons.com">rasmol@bernstein-plus-sons.com</A>.
<P>
<CENTER>
| <a href="http://www.OpenrasMol.org">OpenRasMol</a> |
<A href="README.html#Copying">Copying and Distribution</A> |
<A href="README.html#Contents">Contents</A> |
<A href="INSTALL.html">Installation Instructions</A> |<BR>
| <A href="ChangeLog.html">Changes</A> |
<A href="TODO.html">Things To Do</A> |
<A href="README.html#Introduction">Introduction</A> |
<A href="README.html#CodeAndBinaries">Source Code and Binaries</A> |<BR>
| <A href="doc/rasmol.html">RasMol Manual</A> |
<a href="doc/esrasmol27.html">Spanish Translation of RasMol Manual</a> |
<a href="doc/itrasmol.hlp">Italian Translation of RasMol 2.7.1 Help File</a> |<BR>
| <a href="README.html">Release README</A> |<BR>
</CENTER>
<HR>
Updated 7 May 2004.<BR>
Herbert J. Bernstein<BR>
Bernstein + Sons, 5 Brewster Lane, Bellport, NY 11713-2803, USA<BR>
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