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MolArch+ - Updates and Bug Fixes

This page gives detailed instructions on how to download the latest MolArch+ updates and bug fixes. Updates may appear frequently as I constantly develop further options for use with MolArch+.

You may also use the frames version of this documentation.

Top of Page MolArch+ - Prerequisites
Base System
You must have installed the MolArch+ (V7.27 or latter, see command 'molarch+ -V' for your version number). The updates available from this page simply replace the executables and parameter files which have changed to the lattest version V7.35 09.MAY.2003.

NOTE: These updates may replace any changes you may have made to the parameter files in your $MOLARCH installation directory. This may affect general atom and bond parameters, but also the setting how external viewers such as VRML and POVRAY are called on your system. Please check the files contained in the 'par/' directory of this update if you have made any manual changes to files an your system.

NOTE: If you have copied and used parameter files in private directories (such as $HOME or any working directory), these may still be used unless the format of these files have changed (which is not very likely). If MolArch+ complains with warnings and/or errors on using any older private settings file, try deleting it and re-editing the new system parameter file in the $MOLARCH installation directory.

Top of Page MolArch+ - Updates and Bug Fixes

(Currently disabled)

This MolArch+ update contains all pre-compiled binary executables and all parameter files which have changed since the base version (V7.27 24.MAR.2003) was released. The current update is V7.35 09.MAY.2003.

  • Download the archive "molarch+-update-v735.tar.gz" (approx. 12.3 MBytes) or ZIP-file "molarch+-update-v735.zip" (approx. 12.7 MBytes) to a local directory on your system.

    MD5 checksums are as follows:

    	ls -l molarch+-update-v735.tar.gz molarch+-update-v735.zip
    	-rw-r--r--    1     12578601 May  9 20:04 molarch+-update-v735.tar.gz
    	-rw-r--r--    1     13004474 May  9 20:04 molarch+-update-v735.zip
    	md5sum molarch+-update-v735.tar.gz molarch+-update-v735.zip
    	9302c5387f84be8abca4e43120d3b889  molarch+-update-v735.tar.gz
    	9063c131b1b714e0be3057253c3b3fc8  molarch+-update-v735.zip
  • The installation of the updates corresponds exactly to the installation of the base system. Unarchive or unzip the archive using:
    	gunzip -c molarch+.tar.gz | tar -xvf -
    	unzip molarch+.zip
    	cd molarch+
  • There will be two sub-directories named "bin/" and "par/". You need to move (or copy) the binaries to the directory where the executables of the MolArch+ base system where installed (default location "/usr/local/bin"). The parameter files to the same location as those of the base system (default location is "/usr/local/molarch+"). Files contained in this update may overwrite existing MolArch+ files. You may execute the following commands while being logged in as "root":
            cp -r bin/* /usr/local/bin
            cp -r par/* /usr/local/molarch+
  • With these actions the update procedure is finished.
Top of Page MolArch+ - History
  • New and updated examples and images pages.
  • Revised help and syntax files.
  • Revised and extended syntax of the 'cubload' command inclulding 3D transparent potential and density contours.
  • Revised and extended syntax of the 'field' commands (see also above 'cubload').
  • Extended command 'make solid ...' to display numerous coordination polyhedrons.
  • Enhanced support of inorganic and organometallic structures.
  • New system parameter file "molarch[+-].rc" that contains settings of display parameters which are read a program start-up.
  • Revised and extended syntax of the 'hydrogens' command.
  • Revised and extended syntax of the 'check-geometry' command.
  • Left + right mouse button moves molecules along x- and y-axis.
  • Commands 'create BONDS' and 'delete BONDS'.
  • Revised commands 'clear' and 'reset'.
  • Improvements for many options of the 'set ...' command.
  • Improvements for thermal anisotropic ellipsoids.
  • Support of molecular structures imported from DG (distance geometry) files.
  • New commands 'history', 'previous-command', and 'last-command'.
  • Revised command 'set highlight {on, off, colors ... }'.
  • Improved handling of GAUSSIAN cube files.

© Copyright PD Dr. S. Immel